data_2knr_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 2knr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -142.01 177.77 7.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.766 0.826 . . . . 0.0 110.665 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.642 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.3 ptpt -80.16 169.83 17.27 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.8 m -59.18 -46.38 88.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.545 1.138 . . . . 0.0 111.961 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.24 -36.02 82.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.993 0.917 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.7 tpt -77.34 -26.57 52.2 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.576 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -73.36 -45.79 52.89 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.47 -43.64 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 123.602 0.564 . . . . 0.0 111.328 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.2 p -65.14 -44.48 88.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.369 0.667 . . . . 0.0 110.421 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.63 78.47 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.3 0.64 . . . . 0.0 111.613 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.405 1.082 . . . . 0.0 109.63 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.14 -40.84 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.902 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -69.37 -27.35 65.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.499 0.32 . . . . 0.0 111.074 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . 18.2 mtp180 -69.05 -43.31 74.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.492 0.317 . . . . 0.0 110.711 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.551 HG13 HD13 ' A' ' 109' ' ' LEU . 5.7 m -72.06 -37.73 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.936 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -69.05 -28.89 66.95 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.361 0.664 . . . . 0.0 110.401 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.4 64.4 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.15 0.58 . . . . 0.0 111.293 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.52 -0.61 54.49 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.706 0.802 . . . . 0.0 111.633 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.33 -11.55 71.44 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.969 -0.35 . . . . 0.0 113.719 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.44 -166.56 23.46 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 122.887 0.28 . . . . 0.0 113.468 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 84.1 t80 -129.06 156.57 43.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.553 1.141 . . . . 0.0 109.544 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -160.12 160.32 32.85 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.054 0.542 . . . . 0.0 111.814 173.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.25 133.6 1.8 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.052 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.05 109.43 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 122.955 0.502 . . . . 0.0 109.918 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.6 -66.02 0.94 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 110.92 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -100.09 146.78 26.39 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.807 0.443 . . . . 0.0 110.312 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 86.3 tttt -124.44 134.78 52.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.02 . . . . 0.0 109.488 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.95 -127.83 3.07 Favored Glycine 0 N--CA 1.471 0.997 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.7 131.61 34.56 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 117.539 0.67 . . . . 0.0 110.808 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 -46.17 69.8 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -87.26 -58.72 2.48 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.052 0.541 . . . . 0.0 111.904 -174.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.25 5.22 39.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.737 0.815 . . . . 0.0 112.716 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.14 159.2 51.57 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 -171.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.47 159.3 22.93 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 5' ' ' SER . 37.4 mm -137.62 117.88 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 33.0 m-85 -120.63 112.33 18.77 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.708 0.803 . . . . 0.0 109.206 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.41 134.74 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.776 0.83 . . . . 0.0 109.065 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.8 ptp180 -105.76 120.53 41.94 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 54.9 tt0 -88.02 127.51 35.39 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.453 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 43.6 ttt85 -106.15 105.96 16.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.36 126.03 31.1 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -7.14 9.48 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.86 -25.83 67.37 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.11 0.964 . . . . 0.0 110.401 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.61 7.25 9.9 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.594 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.91 167.94 10.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.499 0.72 . . . . 0.0 109.086 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 34.1 mt-10 -144.43 155.87 43.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.731 0.812 . . . . 0.0 110.102 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -124.85 164.73 19.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.457 1.503 . . . . 0.0 108.207 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -135.25 142.3 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 175.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.9 m-85 -129.94 155.24 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.457 1.103 . . . . 0.0 108.794 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.71 172.98 29.59 Favored Glycine 0 N--CA 1.465 0.582 0 CA-C-O 119.224 -0.765 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.86 125.02 12.08 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.992 1.795 . . . . 0.0 110.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 C-N-CA 123.582 0.753 . . . . 0.0 111.485 -178.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.246 0.897 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.53 112.13 4.52 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.548 170.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -75.57 164.04 26.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.728 0.811 . . . . 0.0 109.57 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.53 177.31 4.96 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 123.756 0.822 . . . . 0.0 110.495 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -142.59 169.4 17.64 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.751 1.22 . . . . 0.0 108.947 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -97.65 108.44 21.15 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.457 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.1 mmt180 -68.59 -58.05 4.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.794 0.438 . . . . 0.0 109.925 174.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -126.5 158.29 36.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.659 0.783 . . . . 0.0 109.765 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.3 11.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.867 0.467 . . . . 0.0 111.204 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.99 35.81 92.47 Favored Glycine 0 C--N 1.353 1.505 0 O-C-N 123.934 0.771 . . . . 0.0 112.771 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.74 -167.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.688 1.195 . . . . 0.0 109.649 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.3 173.96 6.24 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.878 0.471 . . . . 0.0 110.668 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.33 -27.8 71.29 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 115.71 -0.677 . . . . 0.0 114.63 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.57 -46.13 84.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -60.02 -40.76 90.4 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.002 0.814 . . . . 0.0 111.052 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 49' ' ' LEU . 47.2 mm -60.1 -56.91 14.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.838 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.68 69.47 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.296 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.85 80.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.5 0.72 . . . . 0.0 111.283 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.42 -39.46 24.9 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 121.872 0.069 . . . . 0.0 110.942 176.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.08 -28.33 64.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.991 0.517 . . . . 0.0 110.281 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.99 -43.28 88.26 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.624 1.57 . . . . 0.0 111.035 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -71.29 -47.67 55.48 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.051 0.54 . . . . 0.0 109.95 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.47 -37.95 80.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.028 0.931 . . . . 0.0 111.603 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -63.92 -35.67 81.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.226 0.329 . . . . 0.0 111.191 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -61.55 -48.96 78.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.408 0.683 . . . . 0.0 110.244 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -75.66 -46.14 33.07 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.532 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -146.73 93.04 2.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.701 0.8 . . . . 0.0 110.57 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -74.77 -1.37 21.75 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.128 0.971 . . . . 0.0 112.016 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.14 -1.96 16.88 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.265 0.626 . . . . 0.0 112.37 177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.64 149.33 49.26 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.323 0.582 . . . . 0.0 110.565 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 12.4 m95 -101.92 159.28 15.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -130.28 126.13 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.22 123.8 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 13.9 pt-20 -87.48 111.82 21.57 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.419 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.4 pt -105.68 128.71 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 3.4 tm-20 -110.43 103.39 12.01 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.6 t -159.38 162.43 35.83 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.378 0.671 . . . . 0.0 110.149 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -83.91 -46.01 12.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.163 0.985 . . . . 0.0 109.942 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.86 155.7 18.41 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.419 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.443 HD13 HD22 ' A' ' 110' ' ' LEU . 9.8 tp -123.51 -37.43 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.1 0.56 . . . . 0.0 111.424 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.36 -34.59 89.78 Favored Glycine 0 C--N 1.35 1.348 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -166.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -72.67 -32.98 66.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.437 0.695 . . . . 0.0 111.731 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.551 HD13 HG13 ' A' ' 16' ' ' VAL . 2.6 pp -111.22 -0.94 16.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.403 0.681 . . . . 0.0 112.618 -168.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.443 HD22 HD13 ' A' ' 106' ' ' ILE . 56.7 tp -171.87 117.21 0.39 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 109.213 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.8 m -89.64 137.9 31.94 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.433 0.693 . . . . 0.0 110.666 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.19 148.65 52.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.75 1.22 . . . . 0.0 110.53 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.4 -30.19 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.134 0.974 . . . . 0.0 109.891 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.86 -57.7 4.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.077 0.951 . . . . 0.0 110.028 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 CA--C 1.548 0.866 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.364 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.414 HD21 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.52 -179.44 7.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.982 0.913 . . . . 0.0 111.09 -177.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 50.7 mtmt -66.78 163.75 18.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.775 0.43 . . . . 0.0 110.984 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.506 ' HB3' HD12 ' A' ' 36' ' ' ILE . 3.8 m -64.35 -40.88 96.73 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.386 1.075 . . . . 0.0 110.233 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.24 -50.58 72.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.441 1.096 . . . . 0.0 110.49 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.414 ' HG3' HD21 ' A' ' 3' ' ' LEU . 10.8 tpt -67.8 -26.51 66.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.426 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.57 -47.73 74.79 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.392 0.677 . . . . 0.0 109.643 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.34 -53.48 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 124.127 0.892 . . . . 0.0 111.043 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -58.75 -41.65 87.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.886 -176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.17 -41.46 81.48 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.485 0.49 . . . . 0.0 110.952 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.41 -43.09 97.05 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.336 1.054 . . . . 0.0 110.387 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 23' ' ' ALA . 87.5 mt -58.84 -45.72 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.159 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 2.1 mpt_? -72.66 -23.76 60.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.759 0.423 . . . . 0.0 111.551 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.3 mtp180 -65.58 -44.95 85.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.804 0.442 . . . . 0.0 110.635 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 109' ' ' LEU . 3.9 m -72.97 -35.08 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -70.97 -29.01 64.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.003 0.521 . . . . 0.0 110.551 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.36 83.45 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.937 0.495 . . . . 0.0 110.572 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.01 -25.51 59.93 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.656 0.782 . . . . 0.0 111.419 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.42 -3.14 29.48 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 123.344 0.497 . . . . 0.0 113.382 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.11 -150.6 4.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.381 0.515 . . . . 0.0 114.384 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.0 t80 -140.6 156.63 46.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.353 1.061 . . . . 0.0 109.741 -174.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 13' ' ' ILE . . . -160.56 159.26 30.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.631 0.772 . . . . 0.0 110.869 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 121.6 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.315 1.01 . . . . 0.0 110.016 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.37 107.94 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.337 0.589 . . . . 0.0 110.59 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -81.01 -64.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.141 0.976 . . . . 0.0 111.349 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -91.88 146.78 23.48 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.81 0.444 . . . . 0.0 109.85 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -134.59 130.97 37.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.882 0.873 . . . . 0.0 110.215 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.32 -128.51 2.84 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 123.314 0.384 . . . . 0.0 112.879 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.81 140.47 34.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.281 0.632 . . . . 0.0 111.662 -172.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 32.5 mt-10 -75.6 -53.51 8.48 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.34 -35.76 12.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.65 1.7 21.45 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.21 147.93 46.72 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -169.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.56 156.28 32.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 167.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 5' ' ' SER . 29.9 mm -137.77 117.26 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 56.9 m-85 -118.71 111.87 19.05 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.531 0.682 . . . . 0.0 109.629 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.79 131.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.217 1.007 . . . . 0.0 108.962 -172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.496 HH21 ' HG2' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -113.5 115.06 27.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.129 0.572 . . . . 0.0 109.801 -179.225 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 41.0 tt0 -95.29 119.71 34.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.096 0.559 . . . . 0.0 111.226 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -86.43 118.61 25.97 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.445 0.698 . . . . 0.0 110.106 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.7 mm? -73.53 149.7 42.04 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 168.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.86 -12.27 60.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.553 0.741 . . . . 0.0 111.264 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.21 -20.4 63.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 27.68 8.02 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.071 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HB2' HD23 ' A' ' 42' ' ' LEU . 19.7 mmt180 -121.32 174.33 6.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.364 1.066 . . . . 0.0 110.031 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' HH21 ' A' ' 39' ' ' ARG . 17.0 mp0 -132.66 164.81 25.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.088 0.955 . . . . 0.0 110.347 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 28.5 m-80 -130.41 173.35 10.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.166 1.386 . . . . 0.0 107.574 172.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -147.17 141.09 25.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.425 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.2 m-85 -131.23 152.81 50.14 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.445 1.098 . . . . 0.0 108.769 -176.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.43 162.51 29.3 Favored Glycine 0 C--N 1.335 0.483 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.768 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.58 124.22 13.35 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 111.384 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 123.211 0.604 . . . . 0.0 110.351 179.616 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.326 0.584 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -63.21 97.81 0.13 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.107 165.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -79.88 150.58 30.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.607 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 36' ' ' ILE . 3.5 m-85 -101.49 173.41 6.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.228 0.537 . . . . 0.0 111.621 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -138.14 169.45 17.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 108.568 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 26.1 m -100.47 113.14 25.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 mmt180 -70.87 -59.53 2.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.447 0.699 . . . . 0.0 109.838 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 mt -126.62 160.48 30.56 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.989 0.915 . . . . 0.0 109.359 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.37 134.94 11.6 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.263 0.483 . . . . 0.0 111.648 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.18 26.67 66.25 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.811 0.694 . . . . 0.0 113.775 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.38 -169.47 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.073 0.949 . . . . 0.0 110.111 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.3 pt-20 -103.58 161.49 13.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.353 0.661 . . . . 0.0 110.52 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -21.92 63.64 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 115.723 -0.672 . . . . 0.0 114.232 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.99 -38.57 79.37 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.007 0.523 . . . . 0.0 110.466 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 38.3 mm-40 -67.62 -35.52 79.09 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.04 0.536 . . . . 0.0 110.858 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.7 mm -61.7 -55.88 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.492 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.36 70.42 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.973 0.509 . . . . 0.0 111.622 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.01 81.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.528 0.731 . . . . 0.0 111.856 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD21 HD11 ' A' ' 49' ' ' LEU . 1.4 tp -82.7 -43.57 16.71 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.9 -34.86 63.53 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.368 0.667 . . . . 0.0 111.504 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.53 -33.52 75.22 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.762 0.664 . . . . 0.0 110.684 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -73.77 -53.77 9.54 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.332 0.653 . . . . 0.0 109.584 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.38 -33.86 76.45 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.599 -175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HA ' HD22 ' A' ' 96' ' ' LEU . 46.3 ptt85 -72.22 -29.95 64.45 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 123.542 0.526 . . . . 0.0 111.799 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -63.02 -42.34 99.77 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.797 0.439 . . . . 0.0 110.359 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -82.7 -42.21 18.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.612 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.78 88.39 2.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.785 0.834 . . . . 0.0 109.439 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -72.62 -11.61 60.71 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.718 0.807 . . . . 0.0 112.166 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.1 10.85 3.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.367 1.067 . . . . 0.0 112.302 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -72.87 145.21 47.06 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.942 0.401 . . . . 0.0 110.402 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -104.07 125.78 50.68 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 84.0 t -101.18 114.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.96 113.69 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -90.41 108.09 19.56 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.413 0.625 . . . . 0.0 109.882 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 40' ' ' GLN . 48.1 pt -104.76 135.92 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 34.4 tt0 -106.4 117.94 35.35 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.4 t -169.4 164.09 10.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.055 0.942 . . . . 0.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.32 -38.16 10.65 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.886 0.875 . . . . 0.0 109.971 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -101.72 136.54 41.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.588 1.155 . . . . 0.0 109.705 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.471 HD12 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -106.17 -36.79 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 122.545 0.338 . . . . 0.0 111.468 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.8 -31.05 76.81 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 123.442 0.464 . . . . 0.0 114.035 -168.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -78.07 -21.15 51.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.119 0.568 . . . . 0.0 112.529 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -128.05 4.03 5.88 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.374 0.67 . . . . 0.0 112.545 -169.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.471 HD23 HD12 ' A' ' 106' ' ' ILE . 52.5 tp -167.33 132.21 1.97 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.199 0.999 . . . . 0.0 109.042 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -89.93 133.79 34.58 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.71 0.804 . . . . 0.0 110.644 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.411 HD11 HG12 ' A' ' 106' ' ' ILE . 20.7 mt -134.31 155.06 50.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.003 0.921 . . . . 0.0 110.23 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.05 -17.16 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.359 1.063 . . . . 0.0 110.018 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -86.58 -63.94 1.23 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.72 0.808 . . . . 0.0 111.094 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.446 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 31.0 mm-40 . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 122.789 0.436 . . . . 0.0 111.239 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.489 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -158.65 -174.56 4.84 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.07 0.948 . . . . 0.0 109.829 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mttt -67.07 161.52 24.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.144 0.577 . . . . 0.0 111.735 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.494 ' HB3' HD12 ' A' ' 36' ' ' ILE . 4.6 m -56.47 -45.65 80.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 109.797 164.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -57.12 -46.48 82.6 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 126.169 1.787 . . . . 0.0 112.316 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.489 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.2 tpt -77.04 -26.83 54.1 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -72.65 -47.53 46.83 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.84 -39.58 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 123.703 0.627 . . . . 0.0 110.692 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -63.66 -51.11 66.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.705 0.628 . . . . 0.0 109.69 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.27 -34.61 73.98 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.677 0.791 . . . . 0.0 111.93 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.13 -40.89 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.74 1.216 . . . . 0.0 109.898 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 16' ' ' VAL . 96.6 mt -60.59 -44.56 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.076 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -73.08 -24.49 60.67 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 122.155 -0.34 . . . . 0.0 110.786 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 27.1 mtp180 -62.03 -45.7 92.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.714 0.406 . . . . 0.0 110.314 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.499 HG11 HD13 ' A' ' 109' ' ' LEU . 4.2 m -73.36 -38.12 52.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -176.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -68.33 -28.61 67.3 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.938 0.495 . . . . 0.0 110.78 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.13 63.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.168 0.587 . . . . 0.0 111.38 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 -21.06 18.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.573 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.38 2.8 31.15 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-O 119.968 -0.351 . . . . 0.0 113.818 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 -174.4 47.31 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.397 0.522 . . . . 0.0 113.603 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -117.29 156.75 27.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.704 1.202 . . . . 0.0 109.823 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -161.81 157.41 24.08 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.413 0.685 . . . . 0.0 111.788 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.38 132.64 2.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.748 0.819 . . . . 0.0 110.829 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 13' ' ' ILE . 52.9 t -75.35 101.77 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.482 0.713 . . . . 0.0 110.454 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -74.21 -59.05 2.9 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.74 0.816 . . . . 0.0 110.896 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -109.59 147.81 32.37 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.382 0.673 . . . . 0.0 110.066 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.58 122.94 21.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.027 0.931 . . . . 0.0 110.771 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.4 -134.7 6.06 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.575 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 130.97 42.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.469 0.708 . . . . 0.0 110.435 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 46.6 mt-10 -56.96 -50.91 71.21 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.76 -48.66 5.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.09 2.93 35.4 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 144.98 44.97 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 123.363 0.414 . . . . 0.0 114.022 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.47 157.47 35.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.373 0.669 . . . . 0.0 110.19 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 ' HB3' ' A' ' 5' ' ' SER . 9.4 mm -127.39 137.98 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 59.2 m-85 -133.57 112.96 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.379 1.071 . . . . 0.0 108.977 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.85 129.79 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.9 0.88 . . . . 0.0 109.316 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -106.71 126.45 52.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' OE1' ' HB ' ' A' ' 106' ' ' ILE . 37.6 tt0 -98.59 115.07 27.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.553 0.341 . . . . 0.0 110.204 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -88.8 113.82 24.76 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.79 157.58 34.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.233 1.013 . . . . 0.0 110.945 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -14.85 62.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.346 0.659 . . . . 0.0 111.846 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.14 -16.83 64.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 0.0 111.705 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 31.99 25.74 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -124.67 170.75 10.67 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 109.253 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -135.69 158.65 43.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.066 0.946 . . . . 0.0 110.184 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 26.6 m-80 -113.82 174.72 5.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.996 1.319 . . . . 0.0 108.238 169.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' HD11 ' A' ' 82' ' ' ILE . 13.7 tp -142.85 137.36 29.54 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 170.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 50.8 m-85 -132.13 117.19 17.97 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.72 179.55 21.32 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.407 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 5.1 Cg_exo -72.69 111.1 3.16 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.441 2.094 . . . . 0.0 109.314 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 O-C-N 124.059 0.849 . . . . 0.0 112.062 -177.39 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -84.75 123.0 29.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.371 0.669 . . . . 0.0 110.275 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.94 153.35 18.26 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -100.31 173.79 6.43 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.618 0.367 . . . . 0.0 110.944 -173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 16.1 pt-20 -135.68 149.62 49.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.478 1.111 . . . . 0.0 108.444 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -83.07 101.32 11.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -76.24 -48.76 19.15 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.787 0.835 . . . . 0.0 109.687 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -134.53 156.7 48.18 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.625 1.17 . . . . 0.0 108.812 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.91 127.67 7.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.175 0.59 . . . . 0.0 110.657 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.46 26.25 71.74 Favored Glycine 0 C--N 1.352 1.446 0 O-C-N 123.887 0.742 . . . . 0.0 113.897 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.04 -167.56 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.174 0.989 . . . . 0.0 109.448 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 1.8 pm0 -105.8 160.45 15.23 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.277 0.631 . . . . 0.0 110.456 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.13 -16.54 60.12 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.939 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.19 -41.75 89.8 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.793 0.837 . . . . 0.0 110.452 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 35.8 mm-40 -71.17 -37.39 72.17 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.552 0.741 . . . . 0.0 111.16 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 HD11 ' HB2' ' A' ' 49' ' ' LEU . 37.3 mm -61.1 -53.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.32 72.47 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.059 0.944 . . . . 0.0 111.856 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.62 88.63 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.871 0.732 . . . . 0.0 111.529 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.61 -44.25 17.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 123.16 0.287 . . . . 0.0 111.23 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.0 mt -53.45 -33.67 55.03 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.125 0.57 . . . . 0.0 111.654 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.38 -32.53 64.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.793 0.683 . . . . 0.0 110.585 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.31 -48.33 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.428 0.632 . . . . 0.0 109.516 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.22 -51.39 63.92 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.65 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ptt85 -59.0 -29.78 67.49 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.85 -45.17 93.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.785 0.834 . . . . 0.0 111.025 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -87.82 -44.0 11.43 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.097 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.75 102.25 6.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.934 1.294 . . . . 0.0 109.242 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.8 t -70.73 -17.42 62.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.405 1.082 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -76.31 0.05 20.76 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.42 159.39 29.47 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.724 0.773 . . . . 0.0 112.019 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.85 148.18 42.36 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.439 1.495 . . . . 0.0 108.281 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 90.9 t -122.94 126.52 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.17 117.0 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.1 pt-20 -87.98 112.21 22.34 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.42 HG22 ' HB2' ' A' ' 23' ' ' ALA . 31.8 pt -102.8 159.84 4.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -138.86 118.38 12.94 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.5 t -172.4 165.55 5.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.972 0.909 . . . . 0.0 108.921 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.27 -31.22 17.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.483 0.713 . . . . 0.0 110.786 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -123.93 133.94 53.62 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.718 0.807 . . . . 0.0 110.68 -174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.508 ' HB ' ' OE1' ' A' ' 40' ' ' GLN . 9.8 tp -95.04 -34.53 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.723 0.809 . . . . 0.0 111.075 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.93 -21.2 63.19 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 -164.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -86.01 -34.74 20.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 117.124 0.462 . . . . 0.0 111.448 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.499 HD13 HG11 ' A' ' 16' ' ' VAL . 1.6 pp -112.47 3.21 16.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.607 0.763 . . . . 0.0 112.801 -167.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 tp -168.04 146.48 4.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.9 0.88 . . . . 0.0 109.305 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.4 m -103.59 134.38 47.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.098 0.559 . . . . 0.0 111.341 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 115' ' ' GLN . 33.8 mt -121.69 157.65 30.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.022 0.929 . . . . 0.0 110.104 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.0 m -91.8 -12.71 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.74 0.816 . . . . 0.0 110.004 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -95.64 -76.55 0.5 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.221 0.608 . . . . 0.0 110.656 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.525 ' HB2' HD12 ' A' ' 112' ' ' LEU . 27.6 mm-40 . . . . . 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 0.0 111.713 -177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 81.3 mtm180 . . . . . 0 CA--C 1.542 0.671 0 CA-C-O 121.565 0.698 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.62 173.51 12.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.787 1.235 . . . . 0.0 109.594 -175.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.5 ptpp? -80.08 173.07 12.97 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.384 0.428 . . . . 0.0 110.38 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.531 ' HB3' HD12 ' A' ' 36' ' ' ILE . 11.7 m -58.18 -45.22 87.89 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.095 0.958 . . . . 0.0 111.756 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.59 -50.09 75.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.91 1.284 . . . . 0.0 111.235 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.8 tpt -74.18 -23.86 59.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.83 -174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.08 -46.05 79.07 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.4 -40.75 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.584 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 26.0 t -58.48 -41.25 84.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.165 0.586 . . . . 0.0 110.124 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.66 -35.38 67.71 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.914 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.181 0.992 . . . . 0.0 111.091 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.72 -46.46 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 10' ' ' SER . 3.7 mpt_? -69.84 -29.6 66.9 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.269 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 77.4 mtt180 -61.5 -48.36 81.41 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.176 0.59 . . . . 0.0 110.558 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 109' ' ' LEU . 4.3 m -73.06 -37.37 53.06 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.075 -174.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -68.17 -30.09 69.12 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.72 0.408 . . . . 0.0 110.695 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.49 76.02 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.924 0.49 . . . . 0.0 110.277 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.17 53.35 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.085 0.954 . . . . 0.0 112.1 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.72 -8.74 47.19 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.9 -0.389 . . . . 0.0 113.677 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.49 -173.04 41.82 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 123.523 0.19 . . . . 0.0 113.322 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.409 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 88.9 t80 -119.81 157.43 28.67 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.445 1.098 . . . . 0.0 108.921 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 16' ' ' VAL . . . -157.33 158.4 35.93 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.089 0.555 . . . . 0.0 111.066 173.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.27 134.2 2.83 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.304 1.003 . . . . 0.0 109.829 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -78.95 98.93 2.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.996 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -70.22 -59.45 2.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.38 0.672 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -111.75 145.82 38.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.549 0.74 . . . . 0.0 109.55 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -119.91 139.21 52.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.498 1.119 . . . . 0.0 108.912 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.29 -137.31 4.26 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-O 119.811 -0.439 . . . . 0.0 112.056 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.87 129.54 37.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.303 0.641 . . . . 0.0 110.074 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.96 -41.02 52.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.872 0.469 . . . . 0.0 111.972 -169.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -84.23 -50.39 7.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.789 0.436 . . . . 0.0 111.86 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.49 14.45 13.66 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.46 150.76 43.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 113.831 0.292 . . . . 0.0 113.831 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.23 157.65 37.32 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 171.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -136.74 106.31 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 68.3 m-85 -109.07 112.42 24.59 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 109.559 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -107.35 126.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 124.704 1.201 . . . . 0.0 108.728 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -107.83 108.23 19.33 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.984 0.914 . . . . 0.0 108.732 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.0 tt0 -82.85 110.03 17.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.493 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.512 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 42.2 ttm180 -76.72 102.65 6.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.372 0.669 . . . . 0.0 109.469 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.7 mm? -66.06 144.71 56.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.471 0.709 . . . . 0.0 109.761 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.8 -17.24 64.49 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.122 0.569 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.17 -13.61 60.47 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.632 0.773 . . . . 0.0 111.727 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.17 14.14 46.4 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -101.32 179.52 4.34 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.524 0.729 . . . . 0.0 109.158 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 26.3 mt-10 -146.08 144.33 29.96 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.433 0.635 . . . . 0.0 110.971 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -112.88 161.39 17.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.58 1.152 . . . . 0.0 107.893 169.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -129.41 141.67 50.99 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 175.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 73.2 m-85 -131.24 146.68 52.41 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.79 1.236 . . . . 0.0 108.76 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.77 165.22 27.29 Favored Glycine 0 N--CA 1.464 0.526 0 CA-C-O 119.288 -0.729 . . . . 0.0 111.651 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 108.82 2.1 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.574 2.183 . . . . 0.0 111.222 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 C-N-CA 123.583 0.753 . . . . 0.0 110.961 179.642 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.24 121.49 16.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 109.919 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -72.46 167.29 20.89 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.327 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 173.9 6.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.163 0.585 . . . . 0.0 110.852 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.91 160.08 41.89 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 109.49 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.7 m -92.4 105.52 17.69 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.191 0.596 . . . . 0.0 109.525 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 30.1 mmm180 -74.85 -63.57 1.23 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.586 0.754 . . . . 0.0 109.853 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -114.11 160.2 19.19 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.43 0.692 . . . . 0.0 109.493 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.35 121.42 6.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.641 0.376 . . . . 0.0 111.386 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.47 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.95 26.61 72.19 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.548 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.36 -168.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.442 1.097 . . . . 0.0 110.182 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.6 170.59 7.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.16 0.584 . . . . 0.0 110.875 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -18.33 63.79 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.979 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.58 -42.06 74.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.637 0.775 . . . . 0.0 110.32 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.77 -36.9 73.28 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.621 0.769 . . . . 0.0 110.729 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.0 mm -61.37 -56.26 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.704 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.87 70.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 0.0 111.346 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -59.24 -44.71 92.34 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.883 0.739 . . . . 0.0 110.813 176.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.62 -41.26 32.06 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.235 0.335 . . . . 0.0 111.252 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.59 -33.82 64.28 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.176 0.59 . . . . 0.0 111.103 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.99 56.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.274 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 28.9 mtp180 -74.4 -39.36 62.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.807 0.443 . . . . 0.0 110.133 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -75.22 -38.8 60.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -65.6 -28.74 69.35 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.357 0.411 . . . . 0.0 111.4 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -60.25 -43.08 96.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.932 0.893 . . . . 0.0 111.034 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -82.4 -53.98 5.58 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.14 100.61 5.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.015 0.926 . . . . 0.0 109.666 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -74.31 -1.99 23.19 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.378 0.671 . . . . 0.0 110.442 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.9 4.49 5.25 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.442 1.497 . . . . 0.0 112.452 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -78.61 150.61 32.66 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 118.237 0.471 . . . . 0.0 110.417 176.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -105.82 126.07 51.73 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.67 118.21 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.73 117.42 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.96 122.86 31.4 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 23' ' ' ALA . 45.5 pt -118.8 120.85 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.81 101.73 13.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.1 t -157.23 157.91 35.17 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.527 0.679 . . . . 0.0 111.098 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.67 -29.03 40.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.817 1.247 . . . . 0.0 111.664 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.79 -175.67 3.8 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.573 0.749 . . . . 0.0 110.549 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tp -132.75 -23.06 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.667 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.78 -34.42 82.9 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -162.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -83.99 -17.09 41.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.945 0.498 . . . . 0.0 112.327 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.495 HD13 HG11 ' A' ' 16' ' ' VAL . 3.1 pp -127.31 4.71 6.32 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -166.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.8 tp -167.29 131.72 1.91 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.031 0.932 . . . . 0.0 109.127 172.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -92.11 130.99 37.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.466 0.706 . . . . 0.0 110.361 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.7 158.7 37.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.977 0.911 . . . . 0.0 110.481 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.15 -27.27 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.131 0.972 . . . . 0.0 109.753 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.69 -67.3 0.68 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 110.505 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 CA--C 1.547 0.85 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.822 179.667 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.415 0.626 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.64 170.64 10.29 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.502 -176.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 16.4 ptpt -78.63 178.77 7.57 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.394 0.678 . . . . 0.0 111.564 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.516 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -56.73 -53.85 52.97 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.383 1.073 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.08 -54.49 46.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.931 1.292 . . . . 0.0 111.084 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.5 tpt -66.37 -27.56 67.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.751 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.47 -48.81 66.08 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.74 -48.44 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 0.0 111.44 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 45.9 m -57.92 -41.84 83.54 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.525 0.73 . . . . 0.0 111.019 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.92 -33.88 66.23 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.666 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.5 -41.45 93.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.111 1.364 . . . . 0.0 110.771 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.443 ' O ' HG21 ' A' ' 16' ' ' VAL . 84.0 mt -65.43 -35.57 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.235 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.7 mpt_? -74.47 -29.06 61.3 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.172 0.589 . . . . 0.0 111.386 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 50.1 mtt180 -61.87 -43.4 98.91 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.326 0.65 . . . . 0.0 111.305 177.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG13 HD12 ' A' ' 109' ' ' LEU . 4.5 m -72.33 -36.63 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.91 -176.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.76 -29.66 68.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.789 0.436 . . . . 0.0 110.063 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.1 77.37 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.554 0.534 . . . . 0.0 110.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -9.79 58.71 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.687 0.795 . . . . 0.0 111.854 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.02 -9.93 65.73 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.946 -0.363 . . . . 0.0 113.421 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.24 -176.99 50.52 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.5 t80 -112.82 153.83 27.23 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.832 0.853 . . . . 0.0 110.47 -173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -161.08 163.9 31.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 111.749 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 135.77 0.24 Allowed 'General case' 0 C--N 1.35 0.605 0 O-C-N 125.005 1.44 . . . . 0.0 108.81 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.89 119.77 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.187 0.518 . . . . 0.0 110.09 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -80.93 -66.08 0.93 Allowed 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.334 1.054 . . . . 0.0 110.503 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -99.64 142.86 30.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 110.648 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -120.53 132.72 55.31 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.318 1.047 . . . . 0.0 109.449 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.01 -134.02 4.2 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-O 119.917 -0.38 . . . . 0.0 112.54 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.66 132.84 35.31 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.381 0.672 . . . . 0.0 110.613 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -69.37 -41.23 76.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.605 0.762 . . . . 0.0 112.703 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -90.92 -55.67 3.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.099 0.56 . . . . 0.0 112.098 -173.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.36 20.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.775 0.83 . . . . 0.0 112.736 -168.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.67 150.81 49.92 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.001 0.188 . . . . 0.0 113.507 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 162.87 28.43 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 5' ' ' SER . 15.3 mm -137.76 105.08 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.525 ' HB2' HD12 ' A' ' 96' ' ' LEU . 52.0 m-85 -107.67 113.35 26.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.408 0.623 . . . . 0.0 109.654 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.35 130.06 61.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 C-N-CA 124.2 1.0 . . . . 0.0 109.099 -172.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 7.1 ptp180 -106.0 128.23 53.69 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.74 120.04 41.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 109.884 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 29.3 ttp180 -80.88 113.86 19.38 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 HD23 ' ND2' ' A' ' 48' ' ' ASN . 3.4 mm? -76.94 155.54 32.67 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.504 0.722 . . . . 0.0 109.818 172.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -68.64 -17.98 64.2 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.023 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -64.42 -21.68 66.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 111.809 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.82 -15.37 44.75 Favored Glycine 0 C--N 1.343 0.947 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -83.74 178.54 7.89 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.913 0.885 . . . . 0.0 111.478 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 40.0 mt-10 -142.75 146.14 34.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.468 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.479 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -104.58 164.28 11.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.611 167.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -131.64 141.08 49.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 173.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 56.0 m-85 -127.19 153.38 46.14 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 124.422 1.089 . . . . 0.0 108.488 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.37 166.05 30.04 Favored Glycine 0 N--CA 1.459 0.206 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 112.53 3.06 Favored 'Trans proline' 0 C--N 1.364 1.369 0 C-N-CA 121.922 1.748 . . . . 0.0 110.531 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.042 176.327 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.242 0.685 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -66.84 123.45 20.2 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.974 0.796 . . . . 0.0 109.659 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -94.41 154.77 17.29 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -101.1 175.99 5.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.437 0.695 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -144.59 160.67 40.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.912 1.285 . . . . 0.0 108.781 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.1 m -93.96 100.9 12.97 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.51 -54.08 19.13 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.532 0.733 . . . . 0.0 110.523 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -121.23 155.86 33.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 0.0 109.374 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.38 123.92 12.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.563 0.345 . . . . 0.0 111.006 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.479 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 65.19 30.19 77.21 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.987 0.805 . . . . 0.0 114.008 172.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.55 159.08 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.881 0.873 . . . . 0.0 110.145 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.02 166.26 22.59 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.124 0.569 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -20.95 65.81 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.237 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.96 -48.63 79.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.064 0.945 . . . . 0.0 110.066 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.5 -34.76 72.71 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.651 0.78 . . . . 0.0 111.895 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' A' ' 49' ' ' LEU . 38.9 mm -65.06 -52.56 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 122.868 0.467 . . . . 0.0 110.003 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -29.36 69.86 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.358 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -61.59 -39.26 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.746 0.654 . . . . 0.0 111.09 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 HD22 HD12 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -80.94 -43.83 19.16 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 123.061 0.226 . . . . 0.0 111.512 176.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.53 -28.07 65.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.899 0.479 . . . . 0.0 111.319 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -36.07 64.9 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.654 0.596 . . . . 0.0 109.996 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 75.0 mtp180 -74.48 -35.82 63.27 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.223 0.609 . . . . 0.0 110.969 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -74.18 -44.86 51.82 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.243 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -65.06 -29.03 69.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.402 0.439 . . . . 0.0 111.614 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.31 -48.15 79.28 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.692 0.797 . . . . 0.0 110.488 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -86.16 -20.36 28.72 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.49 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -166.43 101.79 0.61 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.142 0.977 . . . . 0.0 108.575 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 t -77.31 -1.88 32.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.662 . . . . 0.0 111.656 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.03 14.8 11.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.094 0.558 . . . . 0.0 112.421 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 37' ' ' PHE . 2.6 pt? -77.12 151.61 35.3 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 166.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -105.94 124.26 49.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 86.1 t -98.21 116.12 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.83 119.47 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.465 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.7 pt-20 -87.22 107.9 18.69 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.72 157.63 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 169.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 1.5 tm-20 -142.48 107.57 4.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -171.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -172.35 164.52 5.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.729 0.812 . . . . 0.0 109.816 -172.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -92.63 -29.34 16.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.794 0.838 . . . . 0.0 111.029 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.15 148.91 39.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 110.203 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.44 HD13 HD22 ' A' ' 110' ' ' LEU . 9.8 tp -114.58 -35.16 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.02 -29.49 74.51 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -80.44 -10.93 59.74 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.71 0.804 . . . . 0.0 112.477 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD12 HG13 ' A' ' 16' ' ' VAL . 2.5 pp -138.19 -0.64 2.02 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -171.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 106' ' ' ILE . 56.5 tp -163.67 138.81 6.25 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.228 1.011 . . . . 0.0 108.989 174.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -99.94 132.36 45.34 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.645 0.778 . . . . 0.0 111.088 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 106' ' ' ILE . 21.8 mt -130.18 147.98 51.97 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.854 0.862 . . . . 0.0 111.117 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 22.7 m -81.11 -26.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.199 1.0 . . . . 0.0 109.828 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -82.91 -67.14 0.81 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.984 0.914 . . . . 0.0 110.666 -171.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 122.87 0.468 . . . . 0.0 110.359 174.154 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.83 0.824 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.57 178.31 7.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.976 -172.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.6 mtmm -80.39 168.34 19.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.047 0.539 . . . . 0.0 111.39 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.482 ' HB3' HD12 ' A' ' 36' ' ' ILE . 15.8 m -60.59 -44.42 96.25 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.418 1.087 . . . . 0.0 111.694 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.39 -35.31 80.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpt -75.25 -28.45 59.86 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.523 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -75.76 -48.29 22.4 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.722 0.409 . . . . 0.0 109.963 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -60.37 -43.64 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.644 0.59 . . . . 0.0 110.414 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 45.1 t -59.68 -47.45 85.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.921 0.763 . . . . 0.0 110.246 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.08 -34.98 79.71 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.838 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.65 -40.35 88.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 109.689 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 25' ' ' VAL . 83.8 mt -63.23 -33.66 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.667 177.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 10' ' ' SER . 17.8 mmt180 -71.06 -34.13 70.93 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.066 -0.396 . . . . 0.0 110.161 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 92.6 mtt180 -64.68 -43.03 94.84 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.681 0.613 . . . . 0.0 110.624 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG12 HD12 ' A' ' 109' ' ' LEU . 5.3 m -73.27 -39.85 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.878 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.52 -32.45 71.3 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.25 77.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.03 0.532 . . . . 0.0 111.068 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.19 -24.84 54.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.684 0.793 . . . . 0.0 111.457 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.8 -8.48 23.7 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 123.287 0.47 . . . . 0.0 113.332 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.75 -166.3 35.03 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.349 0.5 . . . . 0.0 113.381 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -128.24 158.23 38.71 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.348 1.059 . . . . 0.0 108.949 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 16' ' ' VAL . . . -157.03 160.0 38.53 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.637 0.775 . . . . 0.0 110.367 173.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.5 125.78 1.05 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.4 1.063 . . . . 0.0 109.292 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.512 HG23 HD11 ' A' ' 13' ' ' ILE . 85.2 t -73.1 104.61 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.46 -66.38 0.56 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.958 0.503 . . . . 0.0 109.682 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.33 143.83 31.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.725 0.81 . . . . 0.0 110.438 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -124.96 138.45 54.23 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.997 0.919 . . . . 0.0 109.622 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.6 -132.52 3.37 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.04 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.39 127.31 32.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.688 0.795 . . . . 0.0 111.386 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 52.0 mt-10 -63.67 -40.42 96.77 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.022 0.929 . . . . 0.0 112.683 -173.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.0 -50.73 4.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.57 0.748 . . . . 0.0 112.021 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.82 28.23 8.66 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 0.0 112.332 -168.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.58 140.05 19.29 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 116.686 -0.234 . . . . 0.0 112.631 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 152.92 44.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 171.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 ' HB3' ' A' ' 5' ' ' SER . 27.5 mm -124.79 113.92 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.6 m-85 -114.38 112.65 23.38 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.977 0.911 . . . . 0.0 109.877 176.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.17 130.73 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 108.963 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.25 121.64 45.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.015 0.926 . . . . 0.0 108.917 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.562 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 3.8 tp60 -92.21 115.49 28.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.729 1.211 . . . . 0.0 110.396 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.545 ' HD2' ' HG2' ' A' ' 102' ' ' GLU . 28.1 ttm180 -89.54 100.32 13.15 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' ND2' ' A' ' 48' ' ' ASN . 3.0 mm? -69.69 145.93 51.96 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -62.96 -15.44 55.89 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.53 -24.68 67.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.059 0.944 . . . . 0.0 111.842 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.16 1.74 56.95 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -169.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -91.78 170.71 9.68 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.95 0.9 . . . . 0.0 109.053 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 35.1 mt-10 -143.15 145.88 33.22 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.224 0.61 . . . . 0.0 110.973 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -107.96 170.72 7.82 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.406 1.083 . . . . 0.0 108.333 167.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -140.9 141.25 34.58 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.161 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 42.4 m-85 -129.58 147.6 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.098 0.959 . . . . 0.0 108.902 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.54 166.83 25.73 Favored Glycine 0 N--CA 1.46 0.259 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.36 118.76 5.87 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 122.488 2.125 . . . . 0.0 110.796 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.058 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--O 1.241 0.657 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -75.61 143.03 42.52 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.994 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.27 161.13 18.15 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.442 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 4.1 m-85 -100.2 174.71 6.02 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.242 0.617 . . . . 0.0 110.599 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -138.05 167.53 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.244 1.417 . . . . 0.0 108.346 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -102.54 102.05 12.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.59 -59.71 4.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.569 0.748 . . . . 0.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.1 mt -122.1 155.38 35.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.744 0.817 . . . . 0.0 109.475 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.94 121.41 9.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.561 0.345 . . . . 0.0 111.356 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.434 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 69.05 31.54 72.39 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 123.907 0.754 . . . . 0.0 113.503 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.01 -177.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.495 1.118 . . . . 0.0 109.795 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.0 pt-20 -93.94 167.34 11.67 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.605 0.362 . . . . 0.0 110.097 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -23.64 65.95 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 114.601 0.6 . . . . 0.0 114.601 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.25 -42.54 72.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.858 0.463 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 15.8 mm-40 -61.15 -38.03 84.98 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.982 0.513 . . . . 0.0 110.212 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 49' ' ' LEU . 50.5 mm -60.38 -57.07 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.275 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -26.99 68.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.653 0.781 . . . . 0.0 111.719 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.42 71.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.651 0.781 . . . . 0.0 111.303 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.5 HD23 HD13 ' A' ' 49' ' ' LEU . 1.2 tt -81.29 -36.48 29.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.086 0.154 . . . . 0.0 110.771 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.11 -27.05 66.71 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.99 0.516 . . . . 0.0 109.964 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.82 -44.9 72.53 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.221 1.409 . . . . 0.0 110.29 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -66.48 -47.52 72.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.682 0.393 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.14 -37.59 78.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.576 0.751 . . . . 0.0 112.102 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -66.01 -28.59 68.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.305 0.378 . . . . 0.0 110.975 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -60.44 -35.18 75.21 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -94.0 -51.6 4.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.857 0.863 . . . . 0.0 110.279 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -120.47 94.03 4.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.909 1.283 . . . . 0.0 109.834 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.3 t -66.81 -15.7 63.77 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 121.231 0.539 . . . . 0.0 109.72 166.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.37 -6.55 36.26 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.074 1.35 . . . . 0.0 112.821 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.14 154.93 40.14 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.129 0.49 . . . . 0.0 111.317 -175.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -116.98 126.89 53.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.283 1.433 . . . . 0.0 108.297 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 57.8 t -100.45 118.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 173.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.463 HG22 HG21 ' A' ' 25' ' ' VAL . 18.3 t -111.98 118.92 58.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.44 127.84 34.53 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 171.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.462 HG23 ' HB1' ' A' ' 23' ' ' ALA . 47.5 pt -120.28 150.45 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HG2' ' HD2' ' A' ' 41' ' ' ARG . 1.3 tm-20 -127.73 103.95 7.58 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.094 -1.446 . . . . 0.0 107.094 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.408 HG22 HD22 ' A' ' 109' ' ' LEU . 2.0 t -167.58 159.77 12.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.532 1.133 . . . . 0.0 108.871 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.19 -21.66 29.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.172 0.589 . . . . 0.0 110.8 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.82 142.32 48.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.561 0.744 . . . . 0.0 110.477 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.6 tp -101.9 -29.77 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.718 0.807 . . . . 0.0 110.827 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.0 31.36 2.29 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 115.012 0.765 . . . . 0.0 115.012 -170.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -137.47 -4.46 1.85 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.723 0.809 . . . . 0.0 110.147 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -143.92 1.74 1.15 Allowed 'General case' 0 C--N 1.363 1.168 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -162.86 142.39 9.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.016 0.927 . . . . 0.0 109.197 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 m -104.82 134.49 47.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.22 1.008 . . . . 0.0 110.746 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.17 156.73 44.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.365 1.066 . . . . 0.0 110.502 -173.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.0 -31.3 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.367 1.067 . . . . 0.0 109.951 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.8 -52.25 11.91 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 123.637 0.775 . . . . 0.0 110.193 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.549 0.926 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.539 173.605 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.0 0.429 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.77 168.24 11.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -174.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.3 ptpp? -72.08 171.92 11.05 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.432 ' HG ' ' N ' ' A' ' 34' ' ' GLY . 7.1 m -54.65 -49.13 71.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.292 0.637 . . . . 0.0 112.059 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.03 -55.37 35.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.528 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.462 ' HE3' ' HB3' ' A' ' 10' ' ' SER . 9.0 tpt -72.39 -24.07 61.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.69 -173.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -71.25 -46.03 61.92 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.68 -47.46 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.889 0.743 . . . . 0.0 109.947 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.462 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 34.4 t -59.34 -37.84 78.87 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.36 -36.76 63.6 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.319 0.648 . . . . 0.0 111.229 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.91 -38.51 86.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.888 1.275 . . . . 0.0 110.969 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.517 HG21 ' HB1' ' A' ' 23' ' ' ALA . 94.9 mt -65.54 -35.57 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.586 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -71.81 -32.66 67.82 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.509 0.324 . . . . 0.0 110.529 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 93.8 mtt180 -63.58 -42.95 98.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.367 0.667 . . . . 0.0 110.659 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.525 HG12 HD11 ' A' ' 109' ' ' LEU . 7.7 m -73.63 -43.54 54.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.05 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.93 -35.81 82.37 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.858 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.47 63.14 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.205 0.602 . . . . 0.0 111.634 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.24 -14.61 40.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.455 0.702 . . . . 0.0 111.73 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.04 25.09 7.66 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 122.772 0.225 . . . . 0.0 112.933 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.34 -179.27 16.32 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.798 0.713 . . . . 0.0 112.735 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 87.4 t80 -113.22 158.99 19.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.082 0.953 . . . . 0.0 109.54 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 13' ' ' ILE . . . -161.48 158.39 26.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.194 0.598 . . . . 0.0 111.819 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.91 142.65 2.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.579 1.152 . . . . 0.0 109.28 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -90.94 107.3 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.69 -62.82 1.36 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.408 0.683 . . . . 0.0 111.093 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -109.19 148.15 31.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.003 0.521 . . . . 0.0 110.242 -175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.83 141.35 51.84 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.588 1.155 . . . . 0.0 109.499 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.99 -137.11 4.04 Favored Glycine 0 C--O 1.24 0.524 0 O-C-N 123.525 0.516 . . . . 0.0 111.874 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 127.5 32.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.079 0.551 . . . . 0.0 109.677 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.75 -29.84 62.46 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 123.1 0.56 . . . . 0.0 112.129 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.04 -58.22 2.64 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.128 0.571 . . . . 0.0 111.88 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.02 13.55 14.85 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -169.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' HG ' ' A' ' 5' ' ' SER . . . -66.24 148.49 50.86 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 113.572 0.189 . . . . 0.0 113.572 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 162.08 29.93 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mm -135.77 107.45 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.9 m-85 -108.14 112.92 25.68 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.65 136.76 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.572 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.7 ptp180 -108.9 117.65 34.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.504 0.722 . . . . 0.0 109.088 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HA ' HG13 ' A' ' 101' ' ' ILE . 41.0 tt0 -87.17 129.81 34.79 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 54.2 ttp180 -104.49 145.13 30.72 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.748 0.419 . . . . 0.0 110.542 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.69 146.96 42.4 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.51 1.124 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -21.2 62.12 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.469 1.107 . . . . 0.0 111.583 169.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.65 -15.94 63.68 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.358 1.063 . . . . 0.0 111.48 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.32 -6.33 57.8 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.937 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -92.53 171.58 8.93 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.346 0.658 . . . . 0.0 111.31 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 31.5 mt-10 -149.32 164.62 34.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.785 1.234 . . . . 0.0 110.279 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -128.52 157.65 40.59 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.955 1.302 . . . . 0.0 107.701 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -126.59 140.25 52.57 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -128.72 162.04 28.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 108.863 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.83 170.47 33.66 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-O 118.753 -1.026 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.65 117.32 4.52 Favored 'Trans proline' 0 C--N 1.364 1.376 0 CA-C-N 119.932 1.866 . . . . 0.0 110.581 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 123.356 0.662 . . . . 0.0 110.918 177.621 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.24 0.568 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.6 132.06 52.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.151 0.98 . . . . 0.0 110.393 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -101.96 148.9 24.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -100.44 168.66 9.6 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.213 0.605 . . . . 0.0 110.983 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.15 167.51 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.438 1.495 . . . . 0.0 107.812 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.5 m -103.87 104.47 14.47 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 15.3 mmt180 -66.17 -59.4 3.8 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.785 0.834 . . . . 0.0 110.008 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.27 159.88 30.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.237 1.015 . . . . 0.0 109.253 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.67 133.12 11.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.01 29.54 72.92 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 123.732 0.645 . . . . 0.0 113.752 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -178.34 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.621 1.169 . . . . 0.0 109.331 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.14 167.07 12.62 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.774 -0.579 . . . . 0.0 110.131 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.63 70.89 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.822 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -57.78 -46.27 84.82 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.741 0.816 . . . . 0.0 110.467 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.643 0.777 . . . . 0.0 111.124 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.588 HG23 ' HG ' ' A' ' 49' ' ' LEU . 39.8 mm -62.88 -56.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.94 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -23.68 64.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.579 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.88 87.35 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.562 0.745 . . . . 0.0 111.247 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tp -81.28 -39.91 24.52 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.188 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 HD23 HD23 ' A' ' 49' ' ' LEU . 96.4 mt -57.89 -28.31 64.09 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.015 0.526 . . . . 0.0 111.462 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 90' ' ' ARG . 14.5 tp10 -61.46 -45.83 92.62 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.743 1.617 . . . . 0.0 110.951 169.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 73.6 mtp180 -73.81 -50.8 18.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.002 0.921 . . . . 0.0 111.334 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.47 -37.76 88.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.752 1.221 . . . . 0.0 112.09 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 87' ' ' GLU . 11.4 ptt-85 -65.19 -28.91 69.72 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.704 0.627 . . . . 0.0 111.533 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 69.3 ttt180 -66.19 -44.48 83.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.984 0.514 . . . . 0.0 110.621 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.43 -38.93 74.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.713 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -161.09 102.96 1.27 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.909 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 t -77.47 -3.35 40.02 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.261 1.025 . . . . 0.0 112.665 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -83.43 17.96 1.98 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.05 150.36 30.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.06 0.457 . . . . 0.0 110.243 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -107.32 125.39 51.12 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.02 117.18 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.19 118.33 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.572 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 7.1 pt-20 -85.68 105.31 16.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 172.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 HG13 ' HA ' ' A' ' 40' ' ' GLN . 32.9 pt -108.14 150.1 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 33.5 tt0 -124.16 121.46 35.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.457 ' HG1' HD23 ' A' ' 109' ' ' LEU . 8.9 t -169.93 166.41 9.39 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -102.28 -39.4 7.23 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.97 114.5 27.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.225 0.61 . . . . 0.0 109.907 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.463 HG12 HD12 ' A' ' 112' ' ' LEU . 10.1 tp -91.22 -37.21 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.169 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.77 -15.62 64.73 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -170.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.1 t -86.67 -25.02 25.04 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.779 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.525 HD11 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -122.84 -12.03 8.08 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.4 tp -153.4 130.28 10.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.017 0.927 . . . . 0.0 108.632 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 m -90.61 132.38 35.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.685 0.394 . . . . 0.0 111.303 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.463 HD12 HG12 ' A' ' 106' ' ' ILE . 28.8 mt -126.83 143.56 51.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.938 0.895 . . . . 0.0 110.647 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.71 -23.33 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.281 1.032 . . . . 0.0 110.227 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.28 -59.61 1.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.333 0.653 . . . . 0.0 111.439 -171.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.485 1.315 0 C-N-CA 123.653 0.781 . . . . 0.0 111.417 179.749 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.496 HD23 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -151.02 174.65 12.91 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.8 0.84 . . . . 0.0 111.067 -176.291 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.9 ptpp? -75.71 171.77 13.77 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.846 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 36' ' ' ILE . 16.2 m -62.55 -44.5 96.18 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.371 1.068 . . . . 0.0 111.705 -175.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.54 -49.39 77.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.562 1.145 . . . . 0.0 111.351 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 3' ' ' LEU . 8.8 tpt -71.7 -23.84 61.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.457 -174.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -72.12 -44.22 63.52 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.55 -49.51 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.774 0.671 . . . . 0.0 109.926 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.1 t -53.15 -49.95 65.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.094 0.871 . . . . 0.0 110.221 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -61.27 -37.22 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.12 -40.59 90.8 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.988 0.915 . . . . 0.0 110.44 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.34 -47.19 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.3 mpt_? -65.22 -34.28 77.99 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.147 0.579 . . . . 0.0 110.834 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 52.6 mtt180 -61.23 -45.3 95.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.545 0.738 . . . . 0.0 111.211 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 109' ' ' LEU . 4.9 m -73.02 -36.22 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -69.6 -28.57 66.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.968 0.507 . . . . 0.0 110.905 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.81 69.37 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.218 0.607 . . . . 0.0 110.619 172.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.02 31.05 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.715 0.806 . . . . 0.0 111.156 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.03 -17.39 9.94 Favored Glycine 0 C--N 1.35 1.314 0 C-N-CA 123.359 0.504 . . . . 0.0 113.372 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.07 -175.49 42.36 Favored Glycine 0 C--N 1.348 1.249 0 C-N-CA 123.603 0.621 . . . . 0.0 113.93 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -118.32 154.54 32.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.144 0.978 . . . . 0.0 109.093 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' A' ' 101' ' ' ILE . . . -157.96 164.73 36.54 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.495 0.718 . . . . 0.0 110.866 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 143.38 1.89 Allowed 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.038 0.836 . . . . 0.0 110.324 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.13 105.82 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 122.938 0.495 . . . . 0.0 109.862 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -76.56 -65.43 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.398 0.679 . . . . 0.0 111.085 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 63.8 tttp -102.28 145.93 28.74 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.363 0.665 . . . . 0.0 109.24 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -132.24 126.77 34.26 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.835 0.854 . . . . 0.0 109.705 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.05 -131.42 3.64 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.466 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.87 130.39 35.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.404 0.681 . . . . 0.0 110.62 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.32 -40.96 70.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.089 0.555 . . . . 0.0 112.311 -171.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -95.03 -53.3 3.87 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.3 0.64 . . . . 0.0 111.119 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.88 -8.09 59.28 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.977 0.911 . . . . 0.0 113.396 -168.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.02 155.71 48.18 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.54 18.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.845 0.858 . . . . 0.0 108.984 171.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 5' ' ' SER . 38.3 mm -125.89 124.81 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' HE2' ' HE ' ' A' ' 73' ' ' ARG . 77.4 m-85 -127.13 113.83 16.91 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.471 1.108 . . . . 0.0 108.974 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.63 132.42 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.629 0.772 . . . . 0.0 109.106 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -105.69 146.39 29.83 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.2 tp60 -128.84 146.68 50.86 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.586 1.155 . . . . 0.0 109.677 -169.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -125.64 120.75 31.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.015 0.526 . . . . 0.0 109.689 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.54 152.52 21.06 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.75 0.82 . . . . 0.0 111.047 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.632 HH11 ' HB3' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -51.59 -26.96 9.74 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.062 1.345 . . . . 0.0 113.421 170.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.95 -13.45 62.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.279 1.032 . . . . 0.0 112.304 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.44 68.47 Favored Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -171.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -108.82 163.69 13.05 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.833 0.853 . . . . 0.0 109.341 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.14 148.27 41.41 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.896 0.878 . . . . 0.0 109.634 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -120.06 168.82 10.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.747 0.819 . . . . 0.0 110.419 178.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -141.91 141.99 33.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 48.8 m-85 -126.81 155.25 43.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.092 0.957 . . . . 0.0 109.362 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.08 168.45 29.49 Favored Glycine 0 N--CA 1.463 0.459 0 CA-C-O 119.132 -0.816 . . . . 0.0 111.744 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.59 112.22 3.17 Favored 'Trans proline' 0 C--N 1.365 1.421 0 C-N-CA 122.18 1.92 . . . . 0.0 110.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 C-N-CA 122.804 0.442 . . . . 0.0 110.913 -177.049 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -54.74 119.35 5.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.154 0.982 . . . . 0.0 110.567 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -83.73 157.45 22.14 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -99.61 173.82 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 110.399 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.64 168.04 19.0 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 125.076 1.35 . . . . 0.0 107.776 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -100.18 106.09 17.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.515 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.3 mmt180 -63.47 -57.56 9.83 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.852 0.861 . . . . 0.0 110.145 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.9 mt -126.01 151.92 46.44 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.432 0.693 . . . . 0.0 109.73 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.58 138.34 15.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.111 0.564 . . . . 0.0 110.56 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.74 25.91 72.99 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.847 0.717 . . . . 0.0 113.279 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.69 -169.95 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.833 0.853 . . . . 0.0 109.661 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.0 pt-20 -111.47 170.81 7.87 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.24 0.616 . . . . 0.0 110.428 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.06 -22.35 66.76 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 123.74 0.65 . . . . 0.0 113.979 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.63 -39.66 84.66 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.972 0.509 . . . . 0.0 109.981 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 9.5 mm-40 -69.44 -37.72 77.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.31 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.3 mm -58.85 -56.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.988 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.62 69.4 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.26 0.624 . . . . 0.0 111.597 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.12 99.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.112 0.565 . . . . 0.0 111.193 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD23 HD11 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -80.9 -35.78 32.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.335 -179.291 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.6 -30.04 64.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.788 0.435 . . . . 0.0 110.783 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.48 -44.3 71.44 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.051 1.34 . . . . 0.0 110.395 172.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.35 -41.4 80.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.366 0.667 . . . . 0.0 111.715 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.45 -37.16 57.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.605 0.762 . . . . 0.0 111.042 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -64.32 -28.6 69.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 123.422 0.451 . . . . 0.0 111.5 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.56 -35.92 79.14 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.365 0.666 . . . . 0.0 110.478 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -92.75 -30.49 15.49 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.511 0.724 . . . . 0.0 111.301 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -144.38 80.54 1.64 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.587 1.155 . . . . 0.0 109.062 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -69.15 -15.99 63.54 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.199 0.6 . . . . 0.0 110.819 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.47 17.47 4.51 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.29 1.036 . . . . 0.0 111.781 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.64 161.28 27.92 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 109.903 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -117.04 128.81 55.53 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.45 1.1 . . . . 0.0 108.689 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.1 t -99.54 128.28 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.67 125.05 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.7 134.55 33.96 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' A' ' 23' ' ' ALA . 47.8 pt -132.4 126.0 54.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.98 99.68 8.75 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.469 ' HG1' HD21 ' A' ' 109' ' ' LEU . 3.2 t -162.24 154.09 18.74 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.107 -175.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.632 ' HB3' HH11 ' A' ' 43' ' ' ARG . 35.9 m-20 -98.94 3.75 47.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.924 0.489 . . . . 0.0 111.465 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -145.2 137.99 26.2 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.549 0.739 . . . . 0.0 109.396 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 HD13 HD21 ' A' ' 110' ' ' LEU . 7.3 tp -105.65 -40.86 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.405 0.682 . . . . 0.0 111.613 -172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.59 70.13 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.397 0.436 . . . . 0.0 114.161 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -75.8 -21.59 57.19 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.041 0.936 . . . . 0.0 112.269 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 16' ' ' VAL . 1.8 pp -128.88 1.73 5.36 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.737 0.815 . . . . 0.0 112.796 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD21 HD13 ' A' ' 106' ' ' ILE . 57.3 tp -168.38 123.99 0.98 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.392 1.077 . . . . 0.0 108.836 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.5 m -90.67 136.56 32.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.274 0.63 . . . . 0.0 111.156 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.412 HD13 HG12 ' A' ' 106' ' ' ILE . 21.5 mt -127.01 149.05 50.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.512 1.125 . . . . 0.0 110.362 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.8 m -81.12 -25.66 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.839 0.856 . . . . 0.0 111.154 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -99.06 -58.82 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.836 0.855 . . . . 0.0 111.386 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.485 1.306 0 C-N-CA 122.892 0.477 . . . . 0.0 110.549 178.396 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 121.586 0.708 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.93 -175.16 3.88 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.671 1.189 . . . . 0.0 109.326 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 99.3 mttt -74.54 164.59 26.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.975 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 36' ' ' ILE . 12.5 m -60.97 -35.06 75.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.967 0.907 . . . . 0.0 110.785 173.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.65 -55.6 16.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.724 1.21 . . . . 0.0 110.158 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.485 ' HE3' ' HB3' ' A' ' 10' ' ' SER . 6.6 tpt -65.07 -26.4 68.22 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.651 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.88 -52.5 56.21 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.748 0.419 . . . . 0.0 110.503 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.409 ' O ' HD11 ' A' ' 13' ' ' ILE . 47.1 t -67.52 -39.96 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.974 0.796 . . . . 0.0 110.535 -176.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.485 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 29.1 t -58.09 -39.51 78.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.181 0.592 . . . . 0.0 110.48 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.2 61.74 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.379 0.672 . . . . 0.0 111.44 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.37 -44.68 90.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.273 1.029 . . . . 0.0 110.308 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.534 HG22 ' HE ' ' A' ' 14' ' ' ARG . 1.5 mp -56.54 -41.9 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' HE ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -65.61 -36.12 82.8 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.311 0.644 . . . . 0.0 111.801 177.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.19 -46.88 84.99 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 109' ' ' LEU . 6.3 m -71.41 -39.8 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -175.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.64 -31.25 71.13 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.375 0.67 . . . . 0.0 110.652 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.38 62.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.151 0.58 . . . . 0.0 110.807 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.84 -2.32 58.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.691 0.796 . . . . 0.0 111.826 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.34 26.78 27.13 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.03 0.206 . . . . 0.0 113.34 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.42 -163.94 13.13 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.366 0.507 . . . . 0.0 112.501 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -129.7 156.02 44.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.48 1.112 . . . . 0.0 109.737 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' HG23 ' A' ' 16' ' ' VAL . . . -162.27 158.7 24.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.831 0.852 . . . . 0.0 110.903 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.76 2.37 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 t -78.49 102.74 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.754 0.821 . . . . 0.0 109.43 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -79.09 -41.27 29.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.505 0.722 . . . . 0.0 111.801 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -128.24 144.22 51.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.251 0.62 . . . . 0.0 109.464 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 84.7 tttt -129.51 120.9 26.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.21 1.004 . . . . 0.0 109.741 -176.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 -142.31 8.89 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.216 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 130.65 44.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.52 0.728 . . . . 0.0 111.178 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 43.5 mt-10 -65.25 -46.15 81.71 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.678 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.14 -42.1 8.76 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.894 0.477 . . . . 0.0 111.596 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.91 21.43 17.41 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.421 0.688 . . . . 0.0 112.849 -167.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.0 145.34 17.74 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 114.092 0.397 . . . . 0.0 114.092 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 159.18 32.43 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 5' ' ' SER . 20.8 mm -133.94 121.43 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.51 113.93 18.1 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.404 1.082 . . . . 0.0 108.885 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -113.13 149.54 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.294 1.038 . . . . 0.0 109.206 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 11.2 ptp180 -122.58 120.9 35.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -87.5 121.17 29.59 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 36.2 ttm180 -94.6 129.34 41.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.8 mm? -97.93 167.14 11.1 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.989 0.916 . . . . 0.0 110.605 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.62 -21.12 66.2 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.871 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -23.75 62.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.116 1.367 . . . . 0.0 112.084 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 -3.67 62.53 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.1 170.37 10.08 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.708 0.803 . . . . 0.0 110.638 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.5 mt-10 -144.01 161.21 39.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.751 0.821 . . . . 0.0 111.371 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.494 ' ND2' HD22 ' A' ' 42' ' ' LEU . 29.7 m-80 -111.98 170.9 7.83 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 108.624 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD11 HG22 ' A' ' 82' ' ' ILE . 17.6 tp -135.85 142.89 44.85 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.67 157.81 42.75 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.594 1.157 . . . . 0.0 108.328 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.53 175.69 30.27 Favored Glycine 0 N--CA 1.465 0.616 0 CA-C-O 118.611 -1.105 . . . . 0.0 110.482 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 120.36 6.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 CA-C-N 120.206 2.003 . . . . 0.0 110.379 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.812 0 CA-C-O 119.095 -0.478 . . . . 0.0 109.734 177.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.245 0.861 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 133.18 38.27 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -95.06 157.85 15.71 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.527 ' HB2' HD22 ' A' ' 112' ' ' LEU . 3.9 m-85 -100.9 166.38 10.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.614 0.366 . . . . 0.0 111.152 -173.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -121.97 144.45 48.87 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.654 1.181 . . . . 0.0 108.822 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -87.6 109.64 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -77.03 -67.0 0.75 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.366 0.666 . . . . 0.0 109.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -114.56 160.31 19.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.733 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.55 129.45 9.44 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.077 0.551 . . . . 0.0 110.391 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.04 27.2 73.75 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 123.931 0.769 . . . . 0.0 113.731 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -102.46 -171.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.209 1.004 . . . . 0.0 110.42 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.6 pt-20 -103.6 168.29 9.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.501 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.32 -23.62 64.62 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.86 0.725 . . . . 0.0 114.027 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.22 -39.56 75.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 122.91 0.484 . . . . 0.0 110.539 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 49.9 mm-40 -65.15 -36.06 83.04 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.953 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.503 HG22 HD11 ' A' ' 49' ' ' LEU . 44.5 mm -62.9 -56.0 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.708 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.92 69.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.86 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.99 84.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.141 0.976 . . . . 0.0 112.468 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -82.78 -41.96 18.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.463 0.173 . . . . 0.0 111.091 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 49' ' ' LEU . 83.4 mt -59.98 -28.57 67.79 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.37 -34.57 74.75 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.701 0.626 . . . . 0.0 110.72 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -77.06 -34.41 57.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.45 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -74.6 -41.33 60.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.552 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -72.05 -28.07 63.1 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.663 0.602 . . . . 0.0 111.328 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.05 -49.42 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.249 1.02 . . . . 0.0 110.159 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -79.39 -48.2 14.42 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.578 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -142.33 99.26 3.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.599 1.16 . . . . 0.0 108.98 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -77.27 -2.57 35.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.324 0.65 . . . . 0.0 111.141 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.74 10.53 3.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.473 0.709 . . . . 0.0 112.179 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -77.87 161.83 27.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.577 0.703 . . . . 0.0 109.618 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 19.3 m95 -111.5 135.95 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.06 124.27 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.94 129.17 72.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 10.8 pt-20 -98.09 126.52 43.57 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 169.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 35.1 pt -122.87 141.35 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -119.48 108.86 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.439 ' HG1' HD21 ' A' ' 109' ' ' LEU . 6.7 t -161.34 154.22 20.81 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.141 0.496 . . . . 0.0 110.776 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -74.6 -41.36 60.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.844 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.18 161.62 27.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.289 0.635 . . . . 0.0 110.448 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -108.72 -24.77 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 123.393 0.677 . . . . 0.0 111.007 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.96 76.51 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.921 0.728 . . . . 0.0 114.921 -165.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -83.92 -25.03 30.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.072 0.549 . . . . 0.0 112.296 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.529 HD11 HG13 ' A' ' 16' ' ' VAL . 1.9 pp -121.54 1.26 10.07 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -165.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -161.4 148.96 15.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -112.43 131.82 55.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.048 0.539 . . . . 0.0 110.556 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 70' ' ' PHE . 14.1 mt -128.11 167.38 16.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.182 0.993 . . . . 0.0 110.606 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.69 -11.07 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.039 0.936 . . . . 0.0 110.666 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -109.69 -60.47 1.78 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.006 0.522 . . . . 0.0 111.796 -170.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.486 1.348 0 C-N-CA 123.358 0.663 . . . . 0.0 112.24 -178.815 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.466 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 40.1 mtm180 . . . . . 0 C--O 1.238 0.462 0 CA-C-O 121.603 0.716 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.401 HD23 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 164.86 28.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.134 -178.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 17.2 ptpt -72.33 166.99 21.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 122.434 0.293 . . . . 0.0 110.309 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.541 ' HB3' HD12 ' A' ' 36' ' ' ILE . 19.2 m -62.71 -35.98 81.49 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.868 0.867 . . . . 0.0 112.031 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.643 0.777 . . . . 0.0 110.971 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' HD23 ' A' ' 3' ' ' LEU . 10.6 tpt -76.84 -23.91 52.7 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -71.73 -45.66 61.07 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.61 -39.06 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.72 0.638 . . . . 0.0 111.082 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 m -58.89 -47.38 85.17 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.707 0.63 . . . . 0.0 109.99 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.32 -38.6 81.74 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.385 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.72 -42.34 92.86 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.43 1.092 . . . . 0.0 109.974 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 25' ' ' VAL . 89.1 mt -61.6 -45.33 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.533 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -69.18 -24.84 64.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.253 -0.279 . . . . 0.0 110.987 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.1 mtp180 -67.44 -44.87 77.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.06 0.544 . . . . 0.0 110.973 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 109' ' ' LEU . 4.9 m -71.72 -36.22 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.573 -177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.409 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 43.8 m-85 -70.03 -27.26 64.52 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.376 0.671 . . . . 0.0 110.65 176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.99 74.89 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.782 0.433 . . . . 0.0 110.675 169.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.64 -22.76 40.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.271 0.628 . . . . 0.0 111.581 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.17 -0.93 37.91 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 120.08 -0.289 . . . . 0.0 113.177 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.57 -164.14 28.05 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 122.971 0.32 . . . . 0.0 113.622 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.509 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.1 t80 -126.76 157.64 38.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.561 1.144 . . . . 0.0 109.265 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' HG21 ' A' ' 16' ' ' VAL . . . -161.4 154.67 21.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.526 0.73 . . . . 0.0 110.581 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.7 130.69 2.41 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.139 0.899 . . . . 0.0 110.4 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 13' ' ' ILE . 98.1 t -76.21 109.11 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.056 0.542 . . . . 0.0 109.732 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -77.01 -73.3 0.3 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.462 0.705 . . . . 0.0 110.06 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.05 146.68 23.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 122.699 0.4 . . . . 0.0 110.086 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 56.8 tttm -125.05 146.03 49.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.79 0.836 . . . . 0.0 109.706 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.11 -128.59 2.57 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.971 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.13 148.38 28.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.506 0.722 . . . . 0.0 112.008 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 42.1 mt-10 -65.53 -62.51 1.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.505 0.722 . . . . 0.0 112.501 -176.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.85 -44.17 7.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.987 0.515 . . . . 0.0 111.334 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.68 4.34 44.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.736 0.814 . . . . 0.0 112.495 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.91 134.78 22.26 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 123.392 0.433 . . . . 0.0 112.941 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.72 157.38 37.63 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 167.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.541 HD12 ' HB3' ' A' ' 5' ' ' SER . 34.2 mm -136.09 115.8 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 -177.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 67.9 m-85 -121.24 112.3 18.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.838 0.855 . . . . 0.0 109.689 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 99' ' ' VAL . 94.0 t -110.22 134.87 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.471 1.109 . . . . 0.0 109.147 -174.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.522 HH11 ' HB3' ' A' ' 100' ' ' GLU . 11.3 ptp85 -106.79 135.96 47.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.1 tt0 -101.03 128.11 47.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -95.23 104.94 16.84 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.65 142.31 35.68 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -60.65 -13.23 13.33 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.181 0.992 . . . . 0.0 112.707 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.27 -14.58 63.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.687 0.795 . . . . 0.0 112.358 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.76 16.89 59.15 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -116.28 170.42 8.54 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.151 0.98 . . . . 0.0 109.524 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 50.5 mt-10 -143.02 142.27 31.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.525 0.73 . . . . 0.0 110.455 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -102.62 172.32 6.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.022 0.929 . . . . 0.0 109.169 170.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -142.96 140.44 31.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 36.0 m-85 -130.3 146.46 51.9 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.395 1.078 . . . . 0.0 108.89 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 169.59 27.38 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-O 118.937 -0.924 . . . . 0.0 111.303 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.91 126.95 18.33 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.5 2.134 . . . . 0.0 111.426 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 124.081 0.952 . . . . 0.0 111.259 -176.913 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -69.9 117.03 10.96 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.312 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -84.45 154.26 22.86 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -100.58 174.41 6.09 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.864 0.466 . . . . 0.0 110.731 -171.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.57 168.49 19.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.313 1.445 . . . . 0.0 107.987 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.7 m -95.92 107.96 20.29 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -66.77 -61.6 1.88 Allowed 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -122.94 154.72 38.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.785 0.834 . . . . 0.0 109.411 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.94 117.44 8.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.465 0.306 . . . . 0.0 111.539 -174.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.467 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 66.77 31.84 79.5 Favored Glycine 0 C--N 1.349 1.276 0 O-C-N 123.719 0.637 . . . . 0.0 113.131 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.78 -167.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 0.0 109.577 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -106.1 170.55 7.85 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.68 -24.2 67.82 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.848 -0.614 . . . . 0.0 114.477 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.48 -46.37 89.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.697 0.799 . . . . 0.0 110.509 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.42 -39.26 78.0 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.089 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.536 ' HA ' HD13 ' A' ' 49' ' ' LEU . 48.4 mm -58.45 -53.22 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.881 0.738 . . . . 0.0 109.892 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -28.07 67.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.436 0.694 . . . . 0.0 111.925 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.2 88.73 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.114 0.566 . . . . 0.0 111.233 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.527 HD21 HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -80.99 -40.6 24.07 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.885 177.119 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.76 -28.1 63.64 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.667 0.387 . . . . 0.0 110.401 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.09 -45.81 79.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.102 1.361 . . . . 0.0 110.561 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.411 ' NH1' HD13 ' A' ' 85' ' ' LEU . 66.3 mtp180 -66.68 -48.08 70.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.254 0.622 . . . . 0.0 110.429 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.07 -36.49 74.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.288 0.635 . . . . 0.0 111.283 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -69.27 -29.95 67.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 123.402 0.439 . . . . 0.0 111.21 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -42.43 99.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.994 0.918 . . . . 0.0 109.64 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -75.58 -54.97 6.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.466 0.706 . . . . 0.0 110.03 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.58 102.81 5.04 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.876 0.87 . . . . 0.0 110.52 -171.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -77.87 -3.28 40.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.301 0.64 . . . . 0.0 111.605 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.09 9.04 4.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.176 0.59 . . . . 0.0 112.201 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.5 pt? -74.98 147.9 40.42 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.246 0.546 . . . . 0.0 110.549 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 14.6 m95 -106.21 127.2 53.05 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 91.0 t -102.02 116.21 45.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.403 ' HB ' HG21 ' A' ' 38' ' ' VAL . 51.6 t -116.28 121.51 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.522 ' HB3' HH11 ' A' ' 39' ' ' ARG . 10.2 pt-20 -91.59 109.67 20.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.5 139.82 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 32.6 tt0 -118.32 109.16 15.97 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.5 ' HG1' HD21 ' A' ' 109' ' ' LEU . 4.1 t -159.81 162.75 34.83 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.367 0.603 . . . . 0.0 110.916 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.04 -41.6 28.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 110.118 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.56 163.46 27.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.189 0.996 . . . . 0.0 110.349 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.485 HG12 HD13 ' A' ' 112' ' ' LEU . 9.3 tp -117.33 -41.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -170.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.28 74.46 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 123.237 0.336 . . . . 0.0 113.837 -168.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.8 t -70.7 -27.99 64.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.624 0.769 . . . . 0.0 112.276 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD12 HG13 ' A' ' 16' ' ' VAL . 2.1 pp -122.98 2.31 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.587 0.755 . . . . 0.0 112.819 -171.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 106' ' ' ILE . 62.5 tp -170.92 126.67 0.71 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.961 0.905 . . . . 0.0 109.186 175.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -86.68 136.05 33.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.428 . . . . 0.0 111.358 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.485 HD13 HG12 ' A' ' 106' ' ' ILE . 27.4 mt -128.46 139.7 52.21 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.735 1.214 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.64 -24.42 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 123.649 0.779 . . . . 0.0 110.592 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.56 -58.78 2.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.509 0.723 . . . . 0.0 111.188 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 122.677 0.391 . . . . 0.0 111.009 179.011 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.004 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.86 -176.24 4.7 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.052 0.941 . . . . 0.0 111.255 -176.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.01 157.97 32.14 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 36' ' ' ILE . 23.9 m -62.66 -35.69 80.45 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.2 1.0 . . . . 0.0 110.795 174.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -65.6 -46.9 77.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.594 1.157 . . . . 0.0 110.386 173.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 5.7 tpt -68.62 -22.49 64.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.378 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -75.91 -47.54 24.87 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.089 0.556 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.87 -37.41 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 123.425 0.453 . . . . 0.0 111.345 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -58.42 -44.05 88.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.953 0.783 . . . . 0.0 110.287 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.16 71.94 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.458 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.31 -42.27 99.01 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.542 1.137 . . . . 0.0 110.433 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 16' ' ' VAL . 69.2 mt -57.89 -45.3 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.842 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.88 -24.02 60.8 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 119.215 -0.421 . . . . 0.0 111.933 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -59.98 -46.83 88.16 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.648 0.379 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 109' ' ' LEU . 3.6 m -73.59 -36.9 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.874 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -66.52 -28.35 68.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.324 0.65 . . . . 0.0 111.023 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -30.05 69.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.133 0.573 . . . . 0.0 111.086 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.51 4.68 53.06 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.643 0.777 . . . . 0.0 111.599 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.29 78.68 Favored Glycine 0 C--N 1.353 1.508 0 C-N-CA 122.937 0.304 . . . . 0.0 113.636 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.37 -179.97 47.62 Favored Glycine 0 C--N 1.344 0.99 0 C-N-CA 122.994 0.33 . . . . 0.0 113.798 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -114.78 155.12 27.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.355 1.062 . . . . 0.0 109.603 -174.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -157.03 155.23 30.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.202 0.601 . . . . 0.0 111.33 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.96 121.05 1.03 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.212 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.73 96.71 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.745 0.783 . . . . 0.0 110.027 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.62 -64.58 0.83 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.836 1.255 . . . . 0.0 111.275 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -98.01 145.16 26.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.799 0.44 . . . . 0.0 110.256 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -122.76 137.64 54.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.903 0.881 . . . . 0.0 109.338 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.29 -134.37 3.94 Favored Glycine 0 C--N 1.34 0.753 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.01 137.49 35.09 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.516 0.726 . . . . 0.0 111.093 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.43 -56.25 19.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.063 0.545 . . . . 0.0 112.167 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.02 -57.59 2.76 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.651 0.38 . . . . 0.0 111.615 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.62 4.72 39.15 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.35 153.47 47.98 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 120.113 -0.271 . . . . 0.0 112.823 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.77 165.43 16.9 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.651 HG12 HH21 ' A' ' 68' ' ' ARG . 41.8 mm -134.71 123.49 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.5 m-85 -123.15 113.05 18.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.984 0.914 . . . . 0.0 108.748 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.27 131.93 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.856 0.862 . . . . 0.0 109.084 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 2.0 ptm180 -108.6 115.87 30.91 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 109.648 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.586 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.6 tt0 -80.66 149.75 29.68 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -129.82 120.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.37 1.068 . . . . 0.0 108.167 173.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.444 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.3 mm? -83.71 137.89 33.55 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -60.42 -14.69 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.111 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.93 -42.18 77.1 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.006 1.322 . . . . 0.0 110.834 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.55 -15.03 2.03 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.003 -0.544 . . . . 0.0 113.413 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -88.96 163.53 15.52 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 117.478 0.639 . . . . 0.0 111.009 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -126.83 170.51 12.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.507 1.123 . . . . 0.0 109.819 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 12.8 m-80 -143.95 162.66 35.58 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.461 1.504 . . . . 0.0 107.955 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -134.39 142.05 47.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 53.7 m-85 -132.95 148.92 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.531 1.132 . . . . 0.0 108.367 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 177.62 24.27 Favored Glycine 0 N--CA 1.466 0.654 0 CA-C-O 119.129 -0.817 . . . . 0.0 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HB3' ' HD2' ' A' ' 68' ' ' ARG . 23.0 Cg_exo -65.81 117.59 4.77 Favored 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.321 2.014 . . . . 0.0 110.84 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 123.513 0.725 . . . . 0.0 110.988 178.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.246 0.895 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.651 HH21 HG12 ' A' ' 36' ' ' ILE . 13.0 ptt180 -73.35 122.27 21.77 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD3' HG23 ' A' ' 111' ' ' THR . 30.0 ttm-85 -77.26 164.96 25.1 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -102.21 164.8 11.49 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.733 0.413 . . . . 0.0 111.39 -176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -127.57 155.16 44.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.827 1.251 . . . . 0.0 108.351 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.5 m -87.79 102.85 15.07 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.0 mmm180 -72.04 -56.31 5.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.575 0.75 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . 92.6 mt -121.8 158.56 28.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.668 0.787 . . . . 0.0 109.748 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.54 138.27 16.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.025 0.53 . . . . 0.0 110.874 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.14 31.75 62.36 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 123.893 0.746 . . . . 0.0 113.511 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.0 -165.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.609 1.164 . . . . 0.0 110.099 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.47 170.89 8.55 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.318 0.647 . . . . 0.0 110.386 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -22.04 66.9 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.603 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.51 -41.87 83.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.035 0.534 . . . . 0.0 110.158 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.75 -37.21 84.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.423 0.689 . . . . 0.0 111.274 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.468 ' HA ' HD11 ' A' ' 49' ' ' LEU . 47.1 mm -62.86 -56.6 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.811 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.73 68.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.726 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -60.39 -44.66 95.44 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.824 0.703 . . . . 0.0 110.619 175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.46 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tp -78.43 -44.94 23.48 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.323 0.39 . . . . 0.0 111.505 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.57 -35.23 65.53 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.58 0.55 . . . . 0.0 111.65 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -29.1 63.86 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.811 0.695 . . . . 0.0 110.473 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 68.0 mtt180 -73.09 -52.07 15.66 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.18 -38.28 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.636 -172.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -66.05 -29.3 69.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.55 0.531 . . . . 0.0 111.876 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -61.86 -48.74 79.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.518 0.727 . . . . 0.0 109.856 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.11 -52.9 9.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 0.0 110.635 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -134.5 97.15 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.253 1.021 . . . . 0.0 108.984 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 t -76.46 -5.52 47.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.577 0.751 . . . . 0.0 111.958 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.69 -2.7 18.27 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -72.7 154.14 40.84 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 121.565 0.698 . . . . 0.0 110.186 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -107.85 151.65 25.47 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.9 t -124.01 122.96 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -120.25 122.84 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.6 pt-20 -85.31 129.8 34.73 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 40' ' ' GLN . 46.1 pt -126.59 135.95 62.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -117.23 110.26 17.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.1 t -164.81 157.24 16.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.45 0.7 . . . . 0.0 110.953 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -69.45 -51.16 38.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.061 0.944 . . . . 0.0 111.243 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -105.67 172.56 6.73 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.948 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.404 HD13 HD23 ' A' ' 110' ' ' LEU . 9.4 tp -132.73 -40.45 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -175.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.8 95.02 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 123.448 0.467 . . . . 0.0 114.028 -167.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.5 t -69.3 -31.85 70.61 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.577 0.751 . . . . 0.0 111.76 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 16' ' ' VAL . 2.2 pp -112.74 3.03 16.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.642 0.777 . . . . 0.0 112.349 -170.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.404 HD23 HD13 ' A' ' 106' ' ' ILE . 59.5 tp -174.36 116.04 0.2 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.853 1.261 . . . . 0.0 108.247 173.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.424 HG23 ' HD3' ' A' ' 69' ' ' ARG . 19.6 m -83.03 138.17 33.84 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.076 0.55 . . . . 0.0 111.182 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 mt -127.26 152.22 47.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.853 0.861 . . . . 0.0 110.836 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.23 -23.17 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.395 1.078 . . . . 0.0 109.392 170.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -83.08 -62.82 1.49 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.118 -174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 . . . . . 0 CA--C 1.542 0.672 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.345 176.208 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 42.1 mtm180 . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 122.058 0.932 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -123.17 171.46 9.31 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.758 -170.545 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 17.9 ptpt -78.41 172.7 13.24 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.297 0.373 . . . . 0.0 110.235 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.501 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.3 m -58.98 -47.68 84.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.541 1.136 . . . . 0.0 111.726 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.84 -39.9 95.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.578 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.508 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 6.4 tpt -69.59 -23.97 63.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -76.66 -49.15 16.86 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -62.52 -39.67 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 123.406 0.441 . . . . 0.0 111.535 -174.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -60.19 -47.31 86.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.63 0.772 . . . . 0.0 110.227 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.01 73.03 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.905 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.31 -41.53 96.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.929 1.292 . . . . 0.0 111.055 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 25' ' ' VAL . 83.2 mt -65.03 -36.39 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.312 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -74.49 -25.57 59.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.21 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -66.01 -48.2 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.294 0.371 . . . . 0.0 110.118 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 109' ' ' LEU . 7.2 m -67.95 -42.29 85.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.306 -174.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.17 -28.66 63.37 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.364 0.665 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.375 . . . . 0.0 110.219 171.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.48 67.42 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.851 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.15 -19.56 4.33 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 123.22 0.438 . . . . 0.0 113.068 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.07 -179.97 44.28 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.25 0.46 . . . . 0.0 114.25 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 75.5 t80 -110.91 156.77 20.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.29 1.436 . . . . 0.0 109.676 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . -158.69 161.3 37.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.176 0.991 . . . . 0.0 110.479 171.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.63 126.41 1.06 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.997 0.811 . . . . 0.0 110.642 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.567 HG21 HD13 ' A' ' 13' ' ' ILE . 93.4 t -73.53 107.53 4.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -85.12 -56.14 3.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.823 0.849 . . . . 0.0 110.448 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -101.8 140.54 35.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.73 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -130.75 125.67 34.43 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.328 1.051 . . . . 0.0 109.134 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -133.09 4.19 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.81 121.75 18.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.336 0.655 . . . . 0.0 110.663 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -66.26 -44.06 84.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.68 0.792 . . . . 0.0 111.351 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -78.4 -57.21 3.9 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.639 0.776 . . . . 0.0 112.073 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.59 26.49 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.682 0.793 . . . . 0.0 113.098 -167.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.64 154.35 34.2 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 113.65 0.22 . . . . 0.0 113.65 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.65 31.88 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.6 mm -128.24 111.1 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.7 m-85 -110.54 113.7 26.53 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.785 0.834 . . . . 0.0 109.283 175.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -109.57 129.08 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.573 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -113.6 119.28 36.93 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.347 0.594 . . . . 0.0 110.275 -177.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.587 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.9 tp60 -82.24 146.95 29.21 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.689 1.596 . . . . 0.0 111.018 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -130.82 123.22 28.62 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.626 0.771 . . . . 0.0 109.338 172.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.9 mm? -93.42 167.95 11.38 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.046 0.938 . . . . 0.0 111.359 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.9 -27.84 68.5 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.069 170.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.42 -23.64 64.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.104 1.362 . . . . 0.0 111.919 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.9 20.42 55.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.15 177.81 4.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.047 0.939 . . . . 0.0 108.814 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.55 163.89 31.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.561 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.3 m-80 -134.36 164.57 27.12 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 168.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -133.8 143.4 48.36 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -129.27 159.57 35.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.183 0.993 . . . . 0.0 108.929 -176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.59 172.6 31.71 Favored Glycine 0 N--CA 1.459 0.194 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 6.5 Cg_exo -73.17 118.05 5.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.303 2.002 . . . . 0.0 110.337 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.767 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.56 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.641 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -81.76 134.87 35.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.09 0.472 . . . . 0.0 110.838 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.79 161.4 23.27 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.724 -1.214 . . . . 0.0 107.724 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.07 175.07 5.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 -176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.52 168.62 19.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.192 1.397 . . . . 0.0 109.059 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.4 m -101.5 111.95 24.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.05 -46.46 51.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.357 0.663 . . . . 0.0 110.73 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.7 mt -139.6 158.25 44.44 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.052 0.941 . . . . 0.0 109.153 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.14 136.03 14.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.21 26.09 68.95 Favored Glycine 0 C--N 1.357 1.725 0 O-C-N 123.881 0.738 . . . . 0.0 113.371 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.5 m -102.94 -167.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.802 1.241 . . . . 0.0 110.228 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.4 pt-20 -121.08 172.41 7.97 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.131 0.572 . . . . 0.0 110.805 177.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.95 65.94 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 124.122 0.889 . . . . 0.0 114.403 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.53 -44.59 82.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.074 0.55 . . . . 0.0 110.057 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.83 -38.1 85.78 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.599 0.76 . . . . 0.0 110.742 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 78' ' ' GLU . 49.1 mm -61.18 -56.47 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.357 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.54 65.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.783 0.833 . . . . 0.0 111.342 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -65.22 -39.18 92.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.092 0.557 . . . . 0.0 111.203 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -41.03 21.52 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.83 0.286 . . . . 0.0 111.038 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.62 -31.86 62.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.157 0.583 . . . . 0.0 111.082 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -75.17 -32.03 61.15 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.508 0.505 . . . . 0.0 110.17 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 33.6 mtp-105 -70.28 -50.39 39.99 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 121.496 0.665 . . . . 0.0 109.398 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -66.47 -42.79 86.99 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.497 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -66.43 -28.79 68.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 123.604 0.565 . . . . 0.0 111.393 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -62.4 -46.46 88.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.585 0.754 . . . . 0.0 110.08 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -89.96 -14.31 34.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.999 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -161.71 91.26 0.81 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.437 0.695 . . . . 0.0 109.837 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -77.09 -3.14 37.75 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 122.984 0.514 . . . . 0.0 110.723 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.44 3.26 16.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.762 0.825 . . . . 0.0 112.237 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.65 160.29 25.08 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.013 0.435 . . . . 0.0 110.906 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -118.25 127.34 53.63 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.98 1.312 . . . . 0.0 108.779 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 99.2 t -99.63 116.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.475 HG23 HG22 ' A' ' 25' ' ' VAL . 29.7 t -110.32 112.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 10.1 pt-20 -88.06 108.34 19.19 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.525 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -103.5 150.75 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.376 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 39.0 tt0 -138.83 105.91 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.407 HG22 HE22 ' A' ' 40' ' ' GLN . 4.8 t -159.84 159.97 33.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.779 -175.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -74.12 -45.33 49.63 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.338 0.655 . . . . 0.0 110.22 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -119.64 142.67 48.23 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.187 0.595 . . . . 0.0 110.129 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 tp -94.92 -35.98 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.446 0.698 . . . . 0.0 110.544 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.79 77.66 1.75 Allowed Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.83 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t 176.43 -30.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.361 1.464 . . . . 0.0 108.974 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.505 HD11 HG11 ' A' ' 16' ' ' VAL . 1.9 pp -125.44 -3.9 7.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.661 0.784 . . . . 0.0 112.531 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.54 138.52 13.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -107.29 125.08 50.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.537 0.735 . . . . 0.0 110.652 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.95 155.33 39.77 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.305 1.042 . . . . 0.0 110.512 -174.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.3 m -87.16 -28.05 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.853 0.861 . . . . 0.0 110.085 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.27 -46.44 41.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.863 0.865 . . . . 0.0 110.21 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 123.681 0.792 . . . . 0.0 110.133 178.188 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 61.8 ttt-85 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.244 0.545 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.494 HD21 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 174.42 10.53 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.575 1.15 . . . . 0.0 109.636 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.7 ptpp? -72.96 169.32 17.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.383 0.273 . . . . 0.0 110.597 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.518 ' HB3' HD13 ' A' ' 36' ' ' ILE . 19.3 m -59.39 -45.06 92.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.146 0.979 . . . . 0.0 111.852 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.5 -39.53 94.69 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.508 1.123 . . . . 0.0 111.174 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.494 ' HG3' HD21 ' A' ' 3' ' ' LEU . 6.5 tpt -77.23 -23.77 51.29 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -76.3 -43.41 41.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.15 -41.67 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 123.507 0.504 . . . . 0.0 110.34 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.432 ' HB3' ' HE2' ' A' ' 7' ' ' MET . 29.7 t -62.36 -48.72 78.55 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.822 0.701 . . . . 0.0 109.664 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.22 -38.16 82.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.198 0.599 . . . . 0.0 111.226 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.08 -38.68 91.94 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.108 0.963 . . . . 0.0 110.143 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.444 HD12 HG23 ' A' ' 25' ' ' VAL . 87.5 mt -63.74 -42.48 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.533 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.59 -24.37 61.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 122.111 -0.368 . . . . 0.0 110.606 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.4 mtt180 -65.07 -49.54 69.67 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.067 0.547 . . . . 0.0 110.549 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.521 HG11 HD13 ' A' ' 109' ' ' LEU . 5.5 m -68.74 -40.53 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.244 -174.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -69.56 -28.78 66.28 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.047 0.539 . . . . 0.0 110.679 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.65 66.85 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.774 0.43 . . . . 0.0 111.199 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -10.48 32.84 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.462 0.705 . . . . 0.0 111.765 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.7 4.8 56.9 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.95 -174.37 45.36 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-N 117.157 0.478 . . . . 0.0 113.4 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -112.93 159.22 19.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.426 1.09 . . . . 0.0 109.865 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 16' ' ' VAL . . . -159.94 154.3 23.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.581 0.752 . . . . 0.0 111.421 174.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.46 124.05 1.14 Allowed 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.226 0.954 . . . . 0.0 110.046 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 13' ' ' ILE . 57.9 t -69.54 103.93 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.228 0.611 . . . . 0.0 110.259 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.63 -66.87 0.49 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.062 0.945 . . . . 0.0 110.493 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -108.65 144.82 35.89 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.634 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 87.2 tttt -117.51 129.89 56.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.708 1.203 . . . . 0.0 109.215 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.06 -140.35 6.08 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.61 126.48 31.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.608 0.763 . . . . 0.0 110.845 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.49 -46.22 90.91 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.595 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.14 -61.77 1.67 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.808 0.443 . . . . 0.0 111.962 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.59 0.83 56.75 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -166.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.33 152.95 51.16 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 114.545 0.578 . . . . 0.0 114.545 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.76 165.16 22.18 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 5' ' ' SER . 27.3 mm -133.46 113.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 30.9 m-85 -111.94 112.92 24.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.433 0.693 . . . . 0.0 109.161 172.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.94 141.71 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 14.7 ptp180 -106.67 134.22 50.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 56.4 tt0 -84.07 145.65 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 164.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -124.17 132.85 53.66 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.139 0.495 . . . . 0.0 109.801 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.18 143.99 27.45 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 167.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.768 HH22 ' HB3' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -63.3 -15.24 56.67 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.416 0.686 . . . . 0.0 111.508 173.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.08 -13.94 62.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.141 1.377 . . . . 0.0 112.031 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -5.88 66.26 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -150.5 153.37 35.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 0.0 110.218 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -118.72 170.81 8.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -139.72 142.98 36.82 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.2 156.45 46.43 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.499 1.12 . . . . 0.0 109.318 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.5 166.8 30.78 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.28 128.52 13.86 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 122.234 1.956 . . . . 0.0 111.601 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.826 0 C-N-CA 124.215 1.006 . . . . 0.0 110.599 -179.779 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.34 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -68.17 127.48 33.06 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.739 170.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -86.1 154.54 21.3 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.402 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -101.09 175.14 5.69 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.996 0.519 . . . . 0.0 111.418 -173.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -140.48 157.45 45.49 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.23 1.412 . . . . 0.0 109.284 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -92.38 111.38 22.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.053 0.541 . . . . 0.0 109.547 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -74.26 -58.63 3.17 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.84 0.856 . . . . 0.0 111.13 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 49' ' ' LEU . 83.6 mt -119.62 161.06 21.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.503 0.721 . . . . 0.0 109.298 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.75 126.36 8.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.414 0.286 . . . . 0.0 111.549 -176.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 35.41 91.99 Favored Glycine 0 C--N 1.353 1.498 0 O-C-N 123.871 0.732 . . . . 0.0 113.622 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -106.34 -165.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.325 1.45 . . . . 0.0 109.602 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.64 173.7 6.58 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.173 0.442 . . . . 0.0 110.935 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.95 -19.03 65.21 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 115.962 -0.563 . . . . 0.0 114.085 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.25 -47.28 80.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.75 -40.82 88.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.851 0.86 . . . . 0.0 110.76 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.516 ' HA ' HD11 ' A' ' 49' ' ' LEU . 38.6 mm -61.23 -56.68 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.06 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.95 68.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.946 0.498 . . . . 0.0 111.638 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.11 71.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.178 0.591 . . . . 0.0 111.167 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.423 HD22 HD13 ' A' ' 49' ' ' LEU . 1.7 tp -82.0 -47.93 12.07 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 122.173 0.189 . . . . 0.0 111.467 172.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 96' ' ' LEU . 1.6 mm? -60.25 -27.21 67.05 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.72 -35.44 80.13 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 60.7 mtp85 -74.75 -49.97 19.06 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.706 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -61.81 -37.52 84.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.366 0.666 . . . . 0.0 111.648 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -70.98 -29.3 65.24 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.279 0.362 . . . . 0.0 111.302 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 30.2 ttm180 -63.72 -47.93 79.13 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.286 0.634 . . . . 0.0 110.271 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.67 -54.78 16.77 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -148.18 105.66 3.66 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.905 0.882 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.5 t -76.91 -1.81 30.39 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.42 3.76 4.47 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 86' ' ' LEU . 2.6 pt? -76.56 155.46 33.62 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.537 0.684 . . . . 0.0 111.627 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.409 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 21.6 m95 -111.97 131.61 55.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 114.313 -1.312 . . . . 0.0 107.997 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 21.9 t -112.17 126.53 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.39 122.22 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 123.157 0.583 . . . . 0.0 109.68 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.498 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 13.9 pt-20 -86.81 106.6 17.82 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 25.7 pt -107.47 147.76 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -120.27 125.68 48.71 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.499 HG21 HD12 ' A' ' 109' ' ' LEU . 8.8 t -172.76 166.25 5.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.668 1.187 . . . . 0.0 108.609 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.768 ' HB3' HH22 ' A' ' 43' ' ' ARG . 11.6 p-10 -102.07 -36.48 8.56 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 165.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -95.3 98.35 10.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.994 0.917 . . . . 0.0 109.964 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 tp -81.15 -31.49 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.028 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.81 -18.76 66.7 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 114.535 0.574 . . . . 0.0 114.535 -170.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -86.52 -24.76 25.41 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.521 HD13 HG11 ' A' ' 16' ' ' VAL . 1.9 pp -126.5 4.99 6.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -167.4 132.96 2.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.226 1.011 . . . . 0.0 109.149 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 15.4 m -95.21 129.85 42.17 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.643 0.777 . . . . 0.0 110.925 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.43 139.77 48.16 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.736 0.814 . . . . 0.0 111.486 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.1 m -79.61 -28.94 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.084 0.953 . . . . 0.0 110.289 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.2 -53.92 21.47 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.048 0.939 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 CA--C 1.552 1.051 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.025 179.732 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -146.53 -178.37 6.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.804 1.241 . . . . 0.0 109.551 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.04 155.61 39.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.592 0.357 . . . . 0.0 110.331 173.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.514 ' HB3' HD12 ' A' ' 36' ' ' ILE . 3.8 m -60.14 -36.24 77.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.337 1.055 . . . . 0.0 110.545 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.29 -51.8 67.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.452 1.101 . . . . 0.0 110.98 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.51 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.0 tpt -68.61 -23.74 64.49 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.264 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -69.86 -46.3 65.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.26 -43.67 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 50.3 m -54.62 -54.15 45.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.396 1.06 . . . . 0.0 109.957 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.67 -37.78 88.65 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.555 0.742 . . . . 0.0 112.019 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 110' ' ' LEU . 26.0 tp -58.6 -43.56 89.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.562 1.545 . . . . 0.0 111.139 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.434 HG22 ' HB1' ' A' ' 23' ' ' ALA . 79.7 mt -64.67 -38.36 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.465 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.6 mpt_? -73.75 -26.16 60.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 122.112 -0.368 . . . . 0.0 110.665 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.5 mtp180 -66.11 -44.44 84.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.051 0.54 . . . . 0.0 110.706 175.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG13 HD13 ' A' ' 109' ' ' LEU . 5.3 m -70.46 -42.41 78.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.08 -29.23 68.94 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.858 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -29.01 65.87 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.083 0.553 . . . . 0.0 111.224 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.66 4.57 52.39 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.69 0.796 . . . . 0.0 112.086 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.15 39.34 32.31 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-O 120.955 0.197 . . . . 0.0 113.117 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.2 175.25 18.96 Favored Glycine 0 N--CA 1.466 0.684 0 C-N-CA 123.989 0.804 . . . . 0.0 111.539 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.588 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 91.0 t80 -111.15 155.09 23.4 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.144 0.578 . . . . 0.0 110.161 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . -156.9 157.75 35.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.694 0.798 . . . . 0.0 110.918 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.23 135.81 2.64 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.333 1.021 . . . . 0.0 109.125 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 t -81.36 106.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.412 ' OE1' ' HD3' ' A' ' 39' ' ' ARG . 43.2 mt-10 -74.6 -54.11 8.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.796 0.438 . . . . 0.0 110.36 176.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -119.38 146.95 44.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 0.0 110.214 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.56 149.1 38.74 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.25 1.02 . . . . 0.0 109.697 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.45 -138.07 4.06 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.152 168.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.88 144.79 34.6 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.156 0.582 . . . . 0.0 111.221 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.47 -60.4 2.46 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 123.623 0.769 . . . . 0.0 112.199 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.12 -41.12 10.12 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.972 0.509 . . . . 0.0 111.504 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.2 13.54 34.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.692 0.797 . . . . 0.0 112.037 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.16 148.48 22.31 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -79.19 164.94 23.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -141.6 115.03 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 61.6 m-85 -114.77 112.67 23.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.56 0.744 . . . . 0.0 109.749 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.4 129.17 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.215 1.006 . . . . 0.0 109.068 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' A' ' 26' ' ' GLU . 8.3 ptm180 -112.82 121.74 45.61 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.876 0.87 . . . . 0.0 109.564 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.425 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.4 tt0 -102.8 121.42 42.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.6 0.76 . . . . 0.0 111.046 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 52.0 ttt180 -81.67 114.02 20.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 HD22 ' ND2' ' A' ' 48' ' ' ASN . 3.8 mm? -72.23 166.42 22.45 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 0.0 111.182 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -54.84 -30.16 56.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.919 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.07 -38.11 12.39 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.432 0.293 . . . . 0.0 111.074 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.34 1.23 Allowed Glycine 0 C--N 1.342 0.908 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' HB3' ' A' ' 78' ' ' GLU . 29.5 mmt180 -68.28 168.47 12.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.552 0.341 . . . . 0.0 111.383 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.4 mt-10 -138.75 152.38 47.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.74 0.781 . . . . 0.0 111.237 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.5 ' ND2' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -106.16 166.82 10.24 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.426 1.09 . . . . 0.0 108.771 168.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -136.36 140.79 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 174.236 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 47.3 m-85 -129.17 146.98 50.98 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.571 1.148 . . . . 0.0 108.125 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.55 168.49 27.31 Favored Glycine 0 N--CA 1.468 0.788 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.774 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.23 124.37 12.86 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 122.605 2.204 . . . . 0.0 111.166 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.68 0 C-N-CA 123.309 0.643 . . . . 0.0 110.615 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.246 0.546 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -81.03 106.86 13.36 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.127 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -91.6 148.13 22.5 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 172.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.408 ' HB2' HD21 ' A' ' 112' ' ' LEU . 2.0 m-85 -99.85 176.19 5.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.395 0.678 . . . . 0.0 110.902 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -139.36 168.85 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.799 1.64 . . . . 0.0 107.839 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.476 ' HG1' ' HG2' ' A' ' 115' ' ' GLN . 21.2 m -96.56 107.3 19.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -68.14 -59.81 2.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.332 0.653 . . . . 0.0 109.676 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.06 159.17 29.03 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.723 0.809 . . . . 0.0 110.438 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.22 118.87 7.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.911 0.484 . . . . 0.0 110.714 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.402 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.18 29.63 68.42 Favored Glycine 0 C--N 1.349 1.287 0 O-C-N 123.63 0.581 . . . . 0.0 114.056 172.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.55 150.13 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.448 1.099 . . . . 0.0 109.813 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.494 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 11.9 pt-20 -72.7 169.95 15.56 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.882 0.373 . . . . 0.0 111.823 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.17 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 114.933 -1.03 . . . . 0.0 115.135 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.9 -51.03 64.16 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.12 -36.9 84.38 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.844 0.858 . . . . 0.0 111.355 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.456 ' HA ' HD11 ' A' ' 49' ' ' LEU . 49.9 mm -58.96 -55.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.944 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.44 68.22 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.647 0.779 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.84 75.22 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.381 0.672 . . . . 0.0 111.167 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -82.34 -41.11 20.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.723 0.238 . . . . 0.0 111.166 173.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -55.91 -32.1 63.46 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.191 0.596 . . . . 0.0 110.881 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -34.15 72.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.862 0.726 . . . . 0.0 110.425 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -73.59 -48.0 36.08 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.375 0.607 . . . . 0.0 110.094 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.11 -34.35 68.54 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.23 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.418 ' HA ' HD23 ' A' ' 96' ' ' LEU . 23.1 ptt180 -71.24 -30.07 65.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 123.479 0.487 . . . . 0.0 111.574 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.73 -49.37 78.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.768 0.827 . . . . 0.0 109.739 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.96 -54.26 10.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.403 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -135.2 102.46 5.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.108 0.563 . . . . 0.0 109.967 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -71.26 -1.87 14.17 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.889 0.876 . . . . 0.0 110.648 171.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -70.46 0.85 5.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.974 0.91 . . . . 0.0 112.258 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.0 pt? -76.89 146.77 37.44 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.34 0.59 . . . . 0.0 110.977 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.45 125.74 51.33 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -99.18 115.17 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.84 117.08 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -85.68 107.94 17.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -103.58 160.27 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.2 tm-20 -143.81 107.82 4.72 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -172.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 t -170.23 163.98 8.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.672 0.789 . . . . 0.0 110.461 -171.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.07 -48.07 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.991 0.917 . . . . 0.0 110.251 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.81 150.97 26.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.363 0.665 . . . . 0.0 110.333 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 112' ' ' LEU . 10.3 tp -111.3 -35.7 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.117 0.567 . . . . 0.0 111.009 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.78 66.17 3.38 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 123.493 0.496 . . . . 0.0 113.106 -172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.9 t -175.04 -35.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.084 1.353 . . . . 0.0 108.767 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD13 HG13 ' A' ' 16' ' ' VAL . 2.1 pp -115.41 -4.42 12.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.653 0.781 . . . . 0.0 111.869 -174.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 12' ' ' LEU . 60.0 tp -156.63 150.36 24.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.503 1.121 . . . . 0.0 108.171 171.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.5 m -108.99 131.34 55.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.178 0.591 . . . . 0.0 110.708 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 106' ' ' ILE . 16.6 mt -126.87 161.98 26.99 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.521 1.128 . . . . 0.0 109.827 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.3 0.28 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 110.405 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -103.98 -55.22 2.41 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.599 0.76 . . . . 0.0 110.403 -169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.476 ' HG2' ' HG1' ' A' ' 72' ' ' THR . 14.3 mm100 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 118.881 -0.581 . . . . 0.0 110.11 176.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 67' ' ' GLU . 90.5 mtt180 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 -169.14 2.77 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.654 0.782 . . . . 0.0 111.294 -170.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.9 ptpt -95.7 175.53 6.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 175.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.513 ' HB3' HD13 ' A' ' 36' ' ' ILE . 9.4 m -60.77 -48.09 83.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.599 1.16 . . . . 0.0 112.637 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.39 -37.77 87.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.641 0.777 . . . . 0.0 111.034 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.6 tpt -73.52 -23.95 60.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.139 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.58 -51.97 11.65 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.45 -39.15 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 123.879 0.737 . . . . 0.0 111.572 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 51.3 p -66.31 -50.19 64.47 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.32 0.648 . . . . 0.0 110.63 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.09 -30.67 71.78 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.014 0.525 . . . . 0.0 111.677 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.28 -41.34 96.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.179 1.392 . . . . 0.0 111.023 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.514 HG22 ' HB2' ' A' ' 23' ' ' ALA . 94.1 mt -67.18 -35.21 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.081 176.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.0 mpt_? -72.5 -26.41 61.77 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.551 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 61.7 mtp180 -67.57 -45.07 76.64 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.834 0.453 . . . . 0.0 110.415 175.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 109' ' ' LEU . 6.8 m -71.32 -43.79 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 -175.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -66.67 -28.18 68.26 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.342 0.657 . . . . 0.0 110.826 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -30.97 71.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.055 0.542 . . . . 0.0 111.11 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.48 57.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.649 0.78 . . . . 0.0 112.085 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.75 46.78 7.05 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.15 179.16 17.06 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.662 0.648 . . . . 0.0 112.056 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.6 t80 -115.39 154.74 28.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.706 0.802 . . . . 0.0 109.517 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' HG22 ' A' ' 13' ' ' ILE . . . -163.13 165.73 24.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.051 0.54 . . . . 0.0 111.985 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.02 138.34 0.25 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.851 1.26 . . . . 0.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 99' ' ' VAL . 95.2 t -80.72 115.13 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 122.809 0.443 . . . . 0.0 110.269 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.33 -59.17 2.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.949 0.899 . . . . 0.0 110.412 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -107.95 142.37 38.16 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.56 0.744 . . . . 0.0 110.288 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -119.24 142.15 48.29 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.121 0.968 . . . . 0.0 109.768 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.15 -138.8 4.31 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.382 172.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.71 124.12 25.39 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.622 0.769 . . . . 0.0 110.433 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.01 -37.08 83.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 -171.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.05 -60.35 2.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.136 0.574 . . . . 0.0 112.301 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.7 18.23 19.86 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -166.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.06 151.74 42.76 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 113.784 0.273 . . . . 0.0 113.784 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.51 152.96 35.89 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 5' ' ' SER . 33.9 mm -127.03 122.94 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.807 -0.558 . . . . 0.0 109.754 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.4 m-85 -122.11 135.54 54.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.898 1.279 . . . . 0.0 108.577 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.59 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.05 0.54 . . . . 0.0 109.748 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 9.1 ptp180 -109.86 110.77 21.84 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.488 0.715 . . . . 0.0 109.073 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 tp60 -80.62 109.58 15.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.252 1.021 . . . . 0.0 109.559 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.06 111.76 23.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.627 0.771 . . . . 0.0 110.004 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.14 145.24 31.15 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.993 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -48.36 -28.88 3.45 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.467 172.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.93 -9.04 57.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.785 0.834 . . . . 0.0 112.392 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.02 60.89 Favored Glycine 0 C--N 1.343 0.92 0 O-C-N 123.14 0.275 . . . . 0.0 112.564 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -92.25 153.64 19.13 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 32.1 mt-10 -141.02 141.0 34.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.793 0.837 . . . . 0.0 109.62 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.7 OUTLIER -113.28 131.4 55.94 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD12 HG22 ' A' ' 82' ' ' ILE . 16.8 tp -100.06 143.73 29.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -127.23 156.59 41.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.173 0.989 . . . . 0.0 109.576 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.34 165.05 26.14 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -81.78 105.02 1.49 Allowed 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 122.296 1.997 . . . . 0.0 109.927 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' H ' ' HA ' ' A' ' 70' ' ' PHE . . . . . . . . 0 C--O 1.249 1.051 0 C-N-CA 122.813 0.445 . . . . 0.0 111.406 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 2' ' ' ARG . 48.3 tt0 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 119.703 -0.189 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -77.22 125.37 29.22 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -81.34 166.12 20.75 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.6 m-85 -102.36 173.94 6.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.056 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -141.48 166.64 24.2 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.206 1.403 . . . . 0.0 108.644 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.465 ' HG1' ' HG2' ' A' ' 115' ' ' GLN . 22.7 m -103.27 109.85 21.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.918 0.487 . . . . 0.0 109.762 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -71.36 -53.17 15.03 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.467 0.707 . . . . 0.0 110.05 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.36 160.16 37.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.323 1.049 . . . . 0.0 109.035 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.27 116.66 6.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.627 0.371 . . . . 0.0 111.36 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.99 31.74 78.87 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 123.786 0.679 . . . . 0.0 113.913 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.96 -170.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.82 0.848 . . . . 0.0 109.779 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 11.0 pt-20 -98.15 165.97 11.64 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.784 0.434 . . . . 0.0 110.698 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.68 69.15 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.604 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.554 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 8.4 tp10 -55.9 -46.96 78.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.196 0.998 . . . . 0.0 110.708 171.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 21.7 mm-40 -69.99 -41.1 74.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.056 0.543 . . . . 0.0 110.906 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 HD12 ' A' ' 49' ' ' LEU . 34.2 mm -56.84 -56.25 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.03 71.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.783 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.44 94.21 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.363 0.665 . . . . 0.0 111.186 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 1.1 tt -81.51 -36.39 29.26 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.2 mt -56.87 -28.2 61.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.947 0.499 . . . . 0.0 110.802 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.64 -44.6 70.29 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 110.818 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 74.4 mtp180 -69.54 -39.54 77.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.245 0.618 . . . . 0.0 110.764 -175.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.9 -44.17 64.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.323 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -65.46 -29.4 70.07 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.974 0.416 . . . . 0.0 111.21 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.81 -32.1 72.39 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.688 0.795 . . . . 0.0 110.551 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -96.55 -24.47 16.04 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.654 0.782 . . . . 0.0 111.801 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.16 92.41 1.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.023 0.529 . . . . 0.0 110.602 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -73.95 -10.89 60.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.359 0.664 . . . . 0.0 110.65 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -81.07 14.56 2.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 112.349 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.3 160.64 24.14 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.044 0.449 . . . . 0.0 109.873 168.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -115.94 149.52 38.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 108.27 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 40.8 t -126.82 128.3 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 171.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 25' ' ' VAL . 21.6 t -116.56 127.0 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 12.2 pt-20 -85.48 112.44 20.9 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -112.05 139.72 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.5 tm-20 -124.76 107.57 11.07 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.5 t -162.49 164.85 26.8 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.178 0.591 . . . . 0.0 110.694 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.0 -54.72 6.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.813 0.845 . . . . 0.0 111.115 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -111.82 148.82 32.77 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.449 0.7 . . . . 0.0 110.647 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' A' ' 40' ' ' GLN . 8.2 tp -106.96 -37.16 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.101 0.56 . . . . 0.0 112.142 -170.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -37.62 94.5 Favored Glycine 0 C--N 1.348 1.211 0 N-CA-C 113.924 0.329 . . . . 0.0 113.924 -167.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.4 t -66.27 -28.0 68.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.785 0.834 . . . . 0.0 112.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.532 HD12 HG13 ' A' ' 16' ' ' VAL . 2.0 pp -121.9 1.88 9.91 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.6 tp -157.99 137.36 11.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.634 0.774 . . . . 0.0 108.986 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.1 m -104.32 121.38 43.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.238 0.615 . . . . 0.0 111.361 -172.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mt -129.08 153.35 47.73 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.459 0.703 . . . . 0.0 111.4 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 -30.22 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.664 0.786 . . . . 0.0 110.05 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.42 -43.71 20.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 111.011 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.465 ' HG2' ' HG1' ' A' ' 72' ' ' THR . 15.4 mm100 . . . . . 0 CA--C 1.547 0.854 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 175.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 75.3 mtm180 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.732 0.777 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 7' ' ' MET . 15.8 mt -106.44 166.51 10.49 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.186 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 18.6 ptpt -89.66 178.51 6.25 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 167.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.43 ' HB3' HD13 ' A' ' 36' ' ' ILE . 14.2 m -56.26 -47.52 78.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.522 0.729 . . . . 0.0 111.746 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.58 -51.61 68.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.847 1.259 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.471 ' HG3' HD23 ' A' ' 3' ' ' LEU . 8.6 tpt -73.3 -26.5 61.09 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.807 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -74.05 -40.97 62.45 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.055 0.542 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.09 -38.11 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 123.742 0.651 . . . . 0.0 110.671 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.3 m -55.7 -39.3 70.83 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.364 0.665 . . . . 0.0 110.528 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.31 63.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.302 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -42.31 94.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.802 1.241 . . . . 0.0 111.365 -171.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.42 ' O ' HG21 ' A' ' 16' ' ' VAL . 1.6 mp -54.21 -50.91 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 O-C-N 123.799 0.687 . . . . 0.0 109.779 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -72.42 -24.77 61.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.814 0.446 . . . . 0.0 111.289 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.2 -45.09 96.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 111.043 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 109' ' ' LEU . 2.9 m -74.77 -34.99 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.628 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.31 -28.3 67.05 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.287 0.635 . . . . 0.0 110.597 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.01 70.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.031 0.532 . . . . 0.0 110.748 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.39 -19.16 30.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.791 0.836 . . . . 0.0 111.549 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.14 48.94 Favored Glycine 0 C--N 1.347 1.142 0 C-N-CA 122.892 0.282 . . . . 0.0 113.625 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.52 -160.39 25.48 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.157 0.408 . . . . 0.0 113.317 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -132.68 155.28 49.08 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.542 1.137 . . . . 0.0 108.737 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' A' ' 16' ' ' VAL . . . -157.12 158.4 36.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.842 0.457 . . . . 0.0 111.241 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 128.83 1.06 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.257 0.973 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.12 99.66 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.61 -52.18 34.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.662 0.785 . . . . 0.0 111.34 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -118.09 147.33 43.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.395 0.678 . . . . 0.0 109.462 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -131.7 119.49 21.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.39 -122.8 4.1 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.56 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.63 126.37 35.6 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.47 -50.51 73.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.215 1.006 . . . . 0.0 112.463 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.71 -62.47 1.48 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.2 0.6 . . . . 0.0 111.31 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.03 4.14 49.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -166.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.08 174.53 49.25 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 -175.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.88 162.24 13.5 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.872 0.869 . . . . 0.0 109.009 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 5' ' ' SER . 40.9 mm -129.93 112.47 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.3 m-85 -113.77 113.75 25.38 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.602 0.761 . . . . 0.0 109.602 173.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.25 140.52 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.514 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.14 112.12 17.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.594 0.758 . . . . 0.0 109.41 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HA ' HG13 ' A' ' 101' ' ' ILE . 46.7 tt0 -80.46 146.21 31.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.471 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 ttm180 -123.01 129.45 51.52 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.653 0.781 . . . . 0.0 109.513 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.9 mm? -97.92 147.85 24.04 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.273 1.029 . . . . 0.0 110.981 -174.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.89 -19.11 63.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.623 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.36 -21.88 61.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.067 0.947 . . . . 0.0 111.161 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.28 22.84 11.05 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.895 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -111.47 -178.4 3.44 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.559 0.743 . . . . 0.0 109.895 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 29.9 mt-10 -149.45 159.0 44.67 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.933 1.293 . . . . 0.0 110.025 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' HD21 ' A' ' 42' ' ' LEU . 23.4 m-80 -125.09 170.67 10.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.346 1.058 . . . . 0.0 108.534 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -139.35 141.68 37.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.131 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 46.9 m-85 -131.95 140.13 48.9 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.398 1.079 . . . . 0.0 109.302 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.67 160.61 24.58 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.93 108.65 2.35 Favored 'Trans proline' 0 C--N 1.364 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 110.656 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.647 0.779 . . . . 0.0 110.907 -177.641 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 2' ' ' ARG . 32.0 tt0 . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.687 0.279 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -87.54 131.92 34.22 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 110.253 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -85.06 156.93 20.88 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.03 174.89 5.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.825 0.45 . . . . 0.0 110.656 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.06 151.82 45.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.741 1.217 . . . . 0.0 108.703 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.9 m -84.95 104.21 14.69 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 26.7 mmm180 -65.29 -63.79 1.02 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.853 0.861 . . . . 0.0 109.765 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 49' ' ' LEU . 57.7 mt -118.21 155.67 30.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.402 1.081 . . . . 0.0 108.83 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.94 135.98 13.84 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.51 26.8 72.01 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.986 0.803 . . . . 0.0 113.404 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 74' ' ' LEU . 30.5 m -114.24 173.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.351 1.06 . . . . 0.0 110.341 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.8 pt-20 -86.24 166.12 15.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.84 0.456 . . . . 0.0 110.625 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.99 63.84 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 123.859 0.724 . . . . 0.0 114.128 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.9 -40.22 75.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.08 0.552 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 42.1 mm-40 -63.89 -40.89 97.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.441 0.696 . . . . 0.0 110.058 174.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.522 HG22 ' HG ' ' A' ' 49' ' ' LEU . 49.5 mm -59.79 -57.93 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.184 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.15 -20.05 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.443 0.697 . . . . 0.0 111.711 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.22 70.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.469 0.708 . . . . 0.0 111.417 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 49' ' ' LEU . 1.5 tp -82.98 -45.64 13.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.344 0.258 . . . . 0.0 111.549 170.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.16 -29.07 63.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.72 -35.2 74.81 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.398 0.437 . . . . 0.0 111.012 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.18 -46.6 41.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.795 0.838 . . . . 0.0 110.421 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.11 -42.47 96.88 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.239 0.616 . . . . 0.0 111.003 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -68.57 -28.54 67.04 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.621 0.576 . . . . 0.0 111.36 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -62.81 -46.17 89.2 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.678 0.791 . . . . 0.0 109.729 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -76.66 -45.25 30.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.126 0.57 . . . . 0.0 110.846 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.71 104.45 3.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.973 0.909 . . . . 0.0 110.012 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 t -67.72 -25.27 65.57 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.043 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -67.99 15.06 0.05 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.0 26.67 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.007 0.523 . . . . 0.0 109.799 165.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -118.55 128.13 54.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.554 1.142 . . . . 0.0 108.445 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 43.4 t -101.74 129.95 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.37 121.31 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -85.64 132.66 34.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.475 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.2 pt -129.9 124.3 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -101.23 102.92 13.91 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.7 t -164.5 156.48 16.17 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.75 0.82 . . . . 0.0 109.378 -174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.62 -28.49 15.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.035 0.445 . . . . 0.0 110.375 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -103.48 152.08 22.08 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.62 1.168 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 112' ' ' LEU . 10.0 tp -126.5 -38.79 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -43.07 99.76 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.371 0.419 . . . . 0.0 113.107 -166.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.7 t -65.22 -23.66 67.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.291 1.036 . . . . 0.0 112.93 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.54 HD12 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -120.25 -0.94 10.34 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.384 0.673 . . . . 0.0 112.486 -172.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.416 HD22 HD12 ' A' ' 106' ' ' ILE . 56.6 tp -170.55 124.05 0.68 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.127 0.971 . . . . 0.0 109.221 176.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -88.12 134.49 33.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.322 0.649 . . . . 0.0 111.0 -174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 106' ' ' ILE . 30.8 mt -132.57 149.16 52.36 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.948 0.899 . . . . 0.0 111.386 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.31 -20.91 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.157 0.983 . . . . 0.0 110.287 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -87.13 -69.56 0.67 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.165 0.586 . . . . 0.0 109.969 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.419 176.428 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 . . . . . 0 C--O 1.241 0.628 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.26 175.36 12.72 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.261 1.024 . . . . 0.0 109.405 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -69.27 165.24 21.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.579 0.228 . . . . 0.0 110.534 175.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.516 ' HB3' HD13 ' A' ' 36' ' ' ILE . 20.1 m -62.23 -34.76 77.11 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 110.673 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.441 ' O ' HG21 ' A' ' 9' ' ' VAL . 4.3 tm-20 -65.77 -50.17 65.71 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.759 1.224 . . . . 0.0 110.28 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.544 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 7.9 tpt -67.63 -21.53 65.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.047 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.1 -47.92 40.21 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 6' ' ' GLU . 17.6 m -66.16 -37.58 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.583 0.552 . . . . 0.0 110.951 -177.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.46 ' HB2' ' HE1' ' A' ' 7' ' ' MET . 20.2 m -63.58 -47.02 83.21 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.497 0.719 . . . . 0.0 110.134 177.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.11 -33.56 76.06 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.187 0.595 . . . . 0.0 111.316 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD13 HD13 ' A' ' 110' ' ' LEU . 24.9 tp -63.3 -43.79 96.86 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.067 1.347 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.411 HD12 HG21 ' A' ' 25' ' ' VAL . 80.2 mt -60.73 -40.11 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.871 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -26.22 61.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 76.0 mtp180 -69.53 -43.18 73.53 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.94 0.496 . . . . 0.0 110.512 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 109' ' ' LEU . 10.4 m -71.56 -40.71 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.692 -176.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 51.6 m-85 -69.47 -27.9 65.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.008 0.523 . . . . 0.0 110.916 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.38 67.9 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.072 0.549 . . . . 0.0 111.32 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.88 4.66 40.42 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.842 0.857 . . . . 0.0 111.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.83 -12.13 68.3 Favored Glycine 0 C--N 1.353 1.51 0 N-CA-C 114.16 0.424 . . . . 0.0 114.16 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.38 170.26 52.52 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.008 0.337 . . . . 0.0 113.63 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -107.6 159.11 16.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.878 1.271 . . . . 0.0 109.145 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . -160.57 156.79 26.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.39 0.676 . . . . 0.0 111.462 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.02 132.55 1.74 Allowed 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.33 1.019 . . . . 0.0 109.71 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG21 HD12 ' A' ' 13' ' ' ILE . 59.5 t -77.18 107.91 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.256 0.622 . . . . 0.0 109.905 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.66 -61.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 0.0 110.223 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -102.49 145.41 29.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.627 0.771 . . . . 0.0 110.076 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -144.17 123.53 13.08 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.525 0.73 . . . . 0.0 110.531 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.01 -123.54 2.65 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-O 119.921 -0.377 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.28 127.15 32.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.642 0.777 . . . . 0.0 110.588 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.54 -46.98 35.51 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.158 0.583 . . . . 0.0 112.316 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.0 -55.42 4.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.913 0.485 . . . . 0.0 111.029 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.76 16.39 25.99 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.83 154.83 34.44 Favored Glycine 0 C--N 1.347 1.143 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.63 154.41 24.94 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 5' ' ' SER . 35.0 mm -130.71 119.75 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 78.9 m-85 -116.24 114.84 24.95 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.381 1.073 . . . . 0.0 109.053 174.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.18 132.41 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -112.38 110.52 20.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.519 ' HA ' HG13 ' A' ' 101' ' ' ILE . 45.4 tt0 -80.87 138.28 36.18 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 39.9 ttt85 -112.25 115.1 28.25 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.24 145.04 55.59 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -17.55 21.98 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.02 -38.83 24.42 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.65 -28.19 0.67 Allowed Glycine 0 C--N 1.35 1.359 0 O-C-N 123.324 0.39 . . . . 0.0 112.937 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.5 176.56 6.72 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.063 0.545 . . . . 0.0 111.832 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 46.0 mt-10 -144.91 166.66 24.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.193 0.997 . . . . 0.0 111.56 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -140.13 143.06 36.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.805 1.242 . . . . 0.0 107.9 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 82' ' ' ILE . 14.4 tp -106.95 144.23 33.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -131.52 149.98 52.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.484 1.113 . . . . 0.0 109.114 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.0 168.76 26.9 Favored Glycine 0 N--CA 1.469 0.884 0 CA-C-O 119.297 -0.724 . . . . 0.0 111.878 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.63 109.83 2.98 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.71 2.274 . . . . 0.0 111.543 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 123.053 0.541 . . . . 0.0 111.296 -178.016 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.901 0.382 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -94.73 151.19 19.47 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.386 0.674 . . . . 0.0 110.05 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -121.28 151.27 40.23 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.45 175.48 5.56 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.29 0.636 . . . . 0.0 111.45 -172.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.79 162.73 34.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.7 1.2 . . . . 0.0 109.369 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.9 m -98.99 106.32 18.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.411 0.684 . . . . 0.0 109.663 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -76.74 -53.45 7.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.63 0.772 . . . . 0.0 110.512 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.6 mt -126.92 161.01 29.31 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.131 0.972 . . . . 0.0 108.635 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.91 136.8 12.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.992 0.517 . . . . 0.0 111.333 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.57 22.33 67.76 Favored Glycine 0 C--N 1.354 1.564 0 O-C-N 123.674 0.608 . . . . 0.0 114.14 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.9 m -96.11 -169.04 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.09 0.956 . . . . 0.0 110.013 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.531 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.3 pt-20 -104.73 166.84 10.12 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.93 -17.62 58.73 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.367 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.81 -34.24 60.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.071 0.548 . . . . 0.0 110.748 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.531 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 12.6 mm-40 -69.88 -38.05 76.23 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 175.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 49' ' ' LEU . 45.3 mm -57.96 -56.07 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.377 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.24 66.99 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.908 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.99 79.65 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.838 0.711 . . . . 0.0 111.712 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.52 -43.24 15.96 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 117.564 0.166 . . . . 0.0 111.279 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.8 mt -50.24 -40.45 47.8 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.387 0.675 . . . . 0.0 111.428 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.72 -33.37 75.49 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.422 0.689 . . . . 0.0 111.826 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -73.54 -53.28 10.93 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 110.127 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.17 -43.23 92.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.995 0.918 . . . . 0.0 111.409 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -70.46 -30.82 67.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 123.441 0.463 . . . . 0.0 111.92 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -36.01 81.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.773 0.829 . . . . 0.0 110.525 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.38 -61.5 1.93 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.971 0.509 . . . . 0.0 109.793 171.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.39 103.97 5.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.622 0.769 . . . . 0.0 109.721 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -78.95 -0.75 32.23 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.036 1.334 . . . . 0.0 112.834 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.69 6.31 5.04 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.36 161.68 27.85 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.136 0.493 . . . . 0.0 110.179 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -115.73 143.59 45.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.304 1.042 . . . . 0.0 108.779 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 97.5 t -119.26 117.95 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.4 HG23 ' HB ' ' A' ' 9' ' ' VAL . 34.1 t -112.44 119.44 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.0 pt-20 -86.16 107.67 17.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.519 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.1 pt -104.94 134.13 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.37 110.27 19.11 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.411 ' HG1' HD23 ' A' ' 109' ' ' LEU . 4.4 t -159.28 159.38 33.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 111.385 -173.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.54 -44.68 33.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.93 0.892 . . . . 0.0 110.648 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.23 176.96 5.07 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.738 0.815 . . . . 0.0 109.745 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tp -129.03 -32.65 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.52 -35.66 92.33 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -165.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -26.34 60.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.959 0.504 . . . . 0.0 112.224 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 HG13 ' A' ' 16' ' ' VAL . 2.7 pp -118.11 -3.33 11.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -167.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.438 HD13 HD13 ' A' ' 12' ' ' LEU . 48.4 tp -155.74 136.35 13.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -95.76 127.38 41.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.028 0.531 . . . . 0.0 110.915 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 mt -130.26 149.94 51.73 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.584 0.753 . . . . 0.0 111.72 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.46 -30.51 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.153 0.981 . . . . 0.0 109.725 174.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.02 -61.64 1.82 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.579 0.752 . . . . 0.0 110.901 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 . . . . . 0 CA--C 1.551 1.008 0 O-C-N 123.717 0.636 . . . . 0.0 111.283 -179.445 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.467 0.651 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -132.38 -176.62 4.14 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.933 0.893 . . . . 0.0 110.726 -173.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 98.5 mttt -72.05 158.09 36.59 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.234 170.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 36' ' ' ILE . 10.5 m -60.08 -35.07 74.39 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.154 0.982 . . . . 0.0 110.474 172.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 34.1 tt0 -60.29 -51.02 71.31 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.539 1.135 . . . . 0.0 111.402 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.459 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.4 tpt -73.21 -25.69 60.86 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.833 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.49 -53.91 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 124.005 0.816 . . . . 0.0 111.016 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 22.7 m -55.94 -48.37 75.86 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.014 0.821 . . . . 0.0 110.21 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -62.68 -39.28 93.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.536 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.96 -42.95 95.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.353 1.061 . . . . 0.0 109.865 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.514 HG21 ' HB2' ' A' ' 23' ' ' ALA . 87.0 mt -62.39 -40.51 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.347 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 10' ' ' SER . 4.8 mpt_? -68.81 -30.36 68.91 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.986 0.514 . . . . 0.0 111.31 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 97.6 mtt180 -66.98 -46.18 75.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.393 0.677 . . . . 0.0 110.6 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.553 HG12 HD12 ' A' ' 109' ' ' LEU . 5.3 m -71.23 -41.61 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -68.26 -28.95 67.66 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.145 0.578 . . . . 0.0 110.763 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.71 77.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.033 0.533 . . . . 0.0 110.808 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.59 -5.27 59.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.706 0.802 . . . . 0.0 112.162 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.71 -3.84 61.16 Favored Glycine 0 C--N 1.353 1.493 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.79 -170.56 44.53 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.393 0.521 . . . . 0.0 113.691 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -124.91 159.18 31.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 0.0 109.096 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' HG21 ' A' ' 13' ' ' ILE . . . -157.58 158.97 36.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.722 0.809 . . . . 0.0 110.462 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.75 120.18 1.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.254 0.971 . . . . 0.0 109.383 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.53 104.05 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 121.678 0.752 . . . . 0.0 109.984 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.34 -59.96 2.57 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -100.15 147.01 26.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.34 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.3 tttm -127.98 118.1 22.93 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.837 0.855 . . . . 0.0 109.258 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 -139.37 7.82 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.251 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.32 144.93 39.9 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.148 0.579 . . . . 0.0 111.253 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 65.6 mt-10 -67.54 -63.16 1.12 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.435 -176.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.77 -34.07 14.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.725 0.41 . . . . 0.0 111.934 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.1 27.6 9.45 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.233 0.613 . . . . 0.0 111.637 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.9 142.15 16.8 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 116.748 -0.206 . . . . 0.0 113.024 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.42 156.76 32.87 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 5' ' ' SER . 31.2 mm -137.95 105.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.2 m-85 -109.56 112.1 24.0 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.84 146.52 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.669 1.188 . . . . 0.0 108.35 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 100' ' ' GLU . 10.1 ptp85 -116.97 125.64 51.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.451 HE21 HG23 ' A' ' 103' ' ' THR . 2.5 tt0 -83.72 141.43 31.46 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -120.38 114.03 21.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.57 148.95 48.71 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.435 0.459 . . . . 0.0 110.025 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -60.58 -19.63 58.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.203 1.001 . . . . 0.0 111.49 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.92 -51.92 42.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.358 0.663 . . . . 0.0 110.384 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.07 -13.95 2.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.896 -0.593 . . . . 0.0 113.165 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -71.98 163.29 28.12 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.264 0.532 . . . . 0.0 109.99 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.54 156.03 47.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.898 0.479 . . . . 0.0 111.201 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 18.0 m-80 -135.82 138.53 42.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.331 1.052 . . . . 0.0 108.71 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD12 HG22 ' A' ' 82' ' ' ILE . 12.4 tp -101.8 143.94 31.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.556 0.743 . . . . 0.0 109.301 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -126.37 162.13 26.25 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.56 1.144 . . . . 0.0 110.415 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.43 168.45 32.64 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.84 115.78 4.26 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.745 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 122.564 0.345 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -97.79 158.29 15.6 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.516 0.726 . . . . 0.0 109.813 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -99.62 159.92 14.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.37 176.44 5.24 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.88 0.472 . . . . 0.0 110.46 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 14.7 pt-20 -137.61 159.39 42.1 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.347 1.059 . . . . 0.0 109.783 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -99.71 112.47 24.71 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -72.63 -50.84 22.53 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.47 0.652 . . . . 0.0 109.912 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -130.24 147.06 51.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 108.168 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.47 135.16 24.81 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.201 0.455 . . . . 0.0 112.121 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.65 44.41 96.9 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 124.306 1.004 . . . . 0.0 112.625 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.24 -178.36 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.666 1.187 . . . . 0.0 109.757 -175.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.23 168.17 10.59 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.097 0.559 . . . . 0.0 110.959 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.15 -25.68 69.81 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.939 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.9 -45.97 90.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.223 0.609 . . . . 0.0 110.32 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.71 -40.53 95.34 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.644 0.778 . . . . 0.0 111.122 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.465 HG22 HD12 ' A' ' 49' ' ' LEU . 31.0 mm -58.96 -56.09 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.75 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.2 68.06 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.882 0.873 . . . . 0.0 112.103 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.17 77.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.438 0.695 . . . . 0.0 111.438 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.13 -41.08 20.95 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.476 0.485 . . . . 0.0 111.278 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 80.9 mt -56.23 -32.2 64.23 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.803 0.441 . . . . 0.0 111.728 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -33.94 68.58 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.669 0.606 . . . . 0.0 110.492 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.91 -44.48 61.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.003 0.521 . . . . 0.0 109.898 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.85 -39.52 63.93 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.493 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -66.19 -28.94 69.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 123.27 0.356 . . . . 0.0 111.572 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -59.01 -43.9 91.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.998 0.919 . . . . 0.0 110.224 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -77.53 -51.29 10.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.26 0.624 . . . . 0.0 111.234 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -139.62 108.27 5.92 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.088 0.955 . . . . 0.0 109.789 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -78.08 -2.22 36.23 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.085 0.954 . . . . 0.0 111.822 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.7 2.04 7.3 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -77.31 150.47 35.24 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.389 0.614 . . . . 0.0 111.098 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 18.6 m95 -107.52 141.47 38.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.821 1.249 . . . . 0.0 107.706 172.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 98.5 t -113.97 116.62 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 174.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.11 113.11 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 pt-20 -90.03 108.14 19.55 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.083 0.468 . . . . 0.0 109.921 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -105.11 145.15 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.782 . . . . 0.0 109.722 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -118.65 116.64 27.02 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.548 ' HG1' HD23 ' A' ' 109' ' ' LEU . 9.8 t -159.23 153.67 24.09 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.966 0.412 . . . . 0.0 111.292 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -82.69 -38.15 23.8 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.17 0.988 . . . . 0.0 111.288 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.97 132.88 54.34 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.574 0.749 . . . . 0.0 109.258 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.409 HD11 HD21 ' A' ' 110' ' ' LEU . 9.2 tp -95.17 -36.54 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 122.874 0.47 . . . . 0.0 112.258 -172.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.5 -41.16 98.57 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 -165.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.0 t -65.89 -27.19 68.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.229 1.012 . . . . 0.0 112.681 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.553 HD12 HG12 ' A' ' 16' ' ' VAL . 1.7 pp -117.85 -3.7 11.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.76 0.824 . . . . 0.0 112.009 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 106' ' ' ILE . 57.6 tp -170.12 106.45 0.33 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.326 1.05 . . . . 0.0 108.736 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 m -85.56 132.68 34.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.63 0.772 . . . . 0.0 111.153 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.408 HD13 HG12 ' A' ' 106' ' ' ILE . 10.9 mt -127.85 147.83 50.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.635 1.174 . . . . 0.0 110.107 -171.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.73 -27.73 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.774 0.829 . . . . 0.0 110.285 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -67.76 -55.88 11.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.112 0.965 . . . . 0.0 110.282 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 CA--C 1.551 1.016 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.407 176.806 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.522 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -154.21 173.99 15.37 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.983 1.313 . . . . 0.0 108.886 -175.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.24 161.65 26.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.633 0.373 . . . . 0.0 110.928 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.507 ' HB3' HD13 ' A' ' 36' ' ' ILE . 22.6 m -62.81 -30.29 71.36 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.802 0.841 . . . . 0.0 111.009 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.18 -52.85 63.08 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.685 0.794 . . . . 0.0 110.844 173.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.522 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.8 tpt -74.87 -22.86 58.42 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.94 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.51 -43.41 90.19 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.95 -51.26 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.045 0.841 . . . . 0.0 110.659 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 18.9 m -58.08 -37.92 75.4 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.046 0.841 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -73.15 -38.72 66.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.63 0.772 . . . . 0.0 110.874 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.1 -42.95 99.69 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.648 1.179 . . . . 0.0 109.45 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 23' ' ' ALA . 89.7 mt -60.46 -42.58 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.476 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 10' ' ' SER . 8.4 mpt_? -69.94 -28.66 65.75 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.017 0.527 . . . . 0.0 111.305 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 98.7 mtt180 -66.53 -42.3 87.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.241 0.616 . . . . 0.0 110.791 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.519 HG12 HD12 ' A' ' 109' ' ' LEU . 4.4 m -72.56 -39.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.135 -175.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.63 -28.72 66.15 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.775 0.43 . . . . 0.0 110.451 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.27 73.87 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.843 0.457 . . . . 0.0 110.787 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.29 -16.62 36.96 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.746 0.818 . . . . 0.0 111.931 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.98 -16.23 28.02 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 122.982 0.325 . . . . 0.0 113.537 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.99 -176.64 41.17 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 114.22 0.448 . . . . 0.0 114.22 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -112.56 157.61 20.96 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.541 1.137 . . . . 0.0 109.544 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 13' ' ' ILE . . . -158.1 157.42 32.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.548 0.739 . . . . 0.0 111.178 173.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.84 122.38 0.98 Allowed 'General case' 0 C--N 1.351 0.655 0 O-C-N 123.949 0.78 . . . . 0.0 110.142 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -85.83 102.07 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 121.578 0.704 . . . . 0.0 110.426 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.71 -61.24 1.94 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.616 1.167 . . . . 0.0 111.583 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -95.92 148.05 23.03 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.83 0.348 . . . . 0.0 110.489 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.5 tttm -125.1 148.02 48.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 109.908 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.86 -127.9 2.52 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.902 169.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.33 145.96 27.98 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.87 0.868 . . . . 0.0 111.543 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.54 -64.08 1.03 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 112.098 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -43.73 8.03 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.907 0.483 . . . . 0.0 111.124 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.15 -2.61 45.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.634 0.773 . . . . 0.0 112.966 -172.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.37 144.26 22.32 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-O 119.906 -0.386 . . . . 0.0 112.812 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -77.16 161.77 27.94 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.507 HD13 ' HB3' ' A' ' 5' ' ' SER . 30.3 mm -132.41 115.68 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 84.2 m-85 -114.3 116.43 28.97 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 48.8 t -115.75 138.49 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.977 1.311 . . . . 0.0 109.407 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.644 HH22 HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -111.55 125.07 53.52 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 170.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.53 ' HA ' HG13 ' A' ' 101' ' ' ILE . 4.7 tt0 -81.25 134.5 35.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 165.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 47.1 ttt85 -113.59 120.6 41.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -92.43 157.51 16.55 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.623 -175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -54.62 -30.93 56.31 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.183 1.393 . . . . 0.0 111.954 170.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -28.85 68.85 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.643 1.177 . . . . 0.0 111.802 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.96 37.07 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.683 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -87.8 164.38 15.96 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.217 0.607 . . . . 0.0 109.532 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.2 mt-10 -140.58 160.95 38.89 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.557 0.743 . . . . 0.0 110.054 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -137.0 130.53 31.59 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -99.88 142.21 31.66 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -177.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 37.7 m-85 -130.19 134.17 47.1 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 124.376 1.071 . . . . 0.0 108.747 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.83 165.89 14.66 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.23 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 C-N-CA 122.165 1.91 . . . . 0.0 110.1 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.112 0.565 . . . . 0.0 111.535 -172.537 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -82.92 135.82 34.78 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.963 0.411 . . . . 0.0 109.917 176.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.3 164.71 13.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.491 0.716 . . . . 0.0 109.693 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.96 173.12 6.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.79 148.01 50.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.638 1.175 . . . . 0.0 108.69 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -81.34 100.13 9.04 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 175.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.537 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.5 mmm180 -67.28 -59.39 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.682 0.793 . . . . 0.0 109.671 177.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -122.19 158.42 29.44 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.147 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.44 136.62 14.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.577 0.351 . . . . 0.0 111.199 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.3 22.56 71.14 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.892 0.745 . . . . 0.0 113.352 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.39 -166.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.368 1.067 . . . . 0.0 109.847 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.13 174.81 6.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.687 0.395 . . . . 0.0 110.765 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -23.63 63.33 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 124.012 0.82 . . . . 0.0 114.688 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.22 -49.0 75.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.894 0.478 . . . . 0.0 110.571 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -62.86 -39.81 95.54 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.002 0.814 . . . . 0.0 110.752 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.53 HG22 ' HG ' ' A' ' 49' ' ' LEU . 43.5 mm -59.5 -50.48 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.467 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.45 64.15 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.666 0.786 . . . . 0.0 111.79 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -31.79 72.61 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -80.75 -38.1 29.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.804 174.083 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.644 HD22 HH22 ' A' ' 39' ' ' ARG . 62.3 mt -51.14 -39.29 55.95 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.878 0.471 . . . . 0.0 111.941 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -32.53 70.98 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.867 0.729 . . . . 0.0 109.949 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -73.18 -41.67 63.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.476 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -77.41 -41.2 40.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.554 0.741 . . . . 0.0 111.764 -174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -66.88 -25.96 66.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 123.571 0.544 . . . . 0.0 111.39 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -55.6 -43.56 76.17 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.211 0.605 . . . . 0.0 111.111 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -89.64 -46.15 8.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.951 0.901 . . . . 0.0 111.624 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -136.8 96.84 3.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.939 1.296 . . . . 0.0 108.362 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -78.09 -2.8 39.11 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.97 14.83 3.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.244 0.618 . . . . 0.0 112.115 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 1.5 pp -73.81 156.33 37.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.65 0.38 . . . . 0.0 110.369 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.402 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m95 -116.07 128.01 55.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.182 0.993 . . . . 0.0 108.916 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.436 HG13 ' CZ ' ' A' ' 39' ' ' ARG . 53.1 t -97.89 117.09 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.1 t -120.79 126.59 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -93.14 143.73 25.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 168.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 40' ' ' GLN . 43.1 pt -137.59 129.39 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -108.17 102.5 11.64 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.483 HG21 HE21 ' A' ' 40' ' ' GLN . 7.9 t -168.37 154.61 7.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.17 0.988 . . . . 0.0 108.876 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -89.92 -33.97 16.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.1 0.56 . . . . 0.0 110.442 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.57 109.98 21.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.915 0.886 . . . . 0.0 110.057 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -85.86 -33.72 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.974 0.509 . . . . 0.0 111.266 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.05 5.53 18.35 Favored Glycine 0 C--N 1.348 1.222 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -167.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -115.46 -9.59 12.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 117.875 0.838 . . . . 0.0 111.633 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.519 HD12 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -135.56 0.54 2.75 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.235 0.614 . . . . 0.0 112.247 -171.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 tp -165.49 128.66 2.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.268 1.027 . . . . 0.0 108.763 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.6 m -94.33 137.33 33.62 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.666 0.786 . . . . 0.0 110.754 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -130.64 148.02 52.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.442 1.097 . . . . 0.0 110.529 -173.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.8 m -77.95 -27.12 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.488 0.715 . . . . 0.0 110.213 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.17 -57.58 3.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 111.062 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 123.311 0.644 . . . . 0.0 111.432 -176.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -91.92 174.07 7.52 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.969 0.508 . . . . 0.0 110.632 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.0 mtmm -68.08 162.21 25.13 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.875 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.567 ' HB3' HD12 ' A' ' 36' ' ' ILE . 49.9 m -55.79 -42.89 76.25 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.463 1.105 . . . . 0.0 111.752 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.56 -44.3 74.78 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.519 0.728 . . . . 0.0 110.514 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.513 ' HG3' HD23 ' A' ' 3' ' ' LEU . 8.1 tpt -68.22 -24.36 64.91 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.488 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -76.48 -49.95 15.26 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.32 -36.51 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 123.615 0.572 . . . . 0.0 111.848 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m -62.92 -49.61 74.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.029 0.531 . . . . 0.0 109.634 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.52 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.365 0.666 . . . . 0.0 111.499 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.48 -40.72 95.59 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.897 1.279 . . . . 0.0 111.14 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.506 HD13 HG21 ' A' ' 25' ' ' VAL . 95.8 mt -64.58 -36.92 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.518 176.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -74.15 -25.12 59.56 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.486 0.314 . . . . 0.0 110.899 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -43.86 84.68 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.758 0.423 . . . . 0.0 110.318 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 HD11 ' A' ' 109' ' ' LEU . 3.8 m -70.78 -38.64 73.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -71.45 -28.41 63.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.933 0.493 . . . . 0.0 110.739 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -30.03 70.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.893 0.477 . . . . 0.0 111.037 170.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.55 -19.9 28.76 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.559 0.743 . . . . 0.0 111.701 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.56 -4.73 37.28 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.895 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.46 -177.37 51.74 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 122.958 0.314 . . . . 0.0 113.214 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 92.8 t80 -112.87 159.0 19.48 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.225 1.01 . . . . 0.0 109.585 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -161.91 160.44 27.92 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.158 0.583 . . . . 0.0 111.932 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.63 137.36 0.8 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.488 1.118 . . . . 0.0 109.844 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 13' ' ' ILE . 86.1 t -82.14 115.02 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 122.974 0.51 . . . . 0.0 109.761 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.87 -51.4 7.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.895 0.878 . . . . 0.0 110.775 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -114.95 140.45 49.01 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.612 0.765 . . . . 0.0 110.002 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 57.2 tttm -129.81 119.32 23.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.536 0.734 . . . . 0.0 109.96 -174.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.31 -132.26 4.04 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.91 -0.383 . . . . 0.0 112.505 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.83 121.15 15.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.052 0.941 . . . . 0.0 111.494 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 44.0 mt-10 -63.21 -35.39 80.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.818 0.847 . . . . 0.0 112.975 -172.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -47.17 6.53 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.19 11.24 14.06 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -168.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.43 138.96 43.39 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 113.791 0.276 . . . . 0.0 113.791 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.71 109.32 11.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.571 0.748 . . . . 0.0 110.674 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' A' ' 5' ' ' SER . 24.6 mm -85.53 105.34 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 122.121 -0.362 . . . . 0.0 110.401 -171.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.1 m-85 -103.11 113.2 26.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.954 0.902 . . . . 0.0 109.416 172.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.8 139.23 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.821 0.848 . . . . 0.0 109.066 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.6 ' HD3' HG22 ' A' ' 82' ' ' ILE . 19.6 ptt85 -113.09 122.96 49.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.522 ' HA ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -78.37 143.8 36.52 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.486 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 50.3 ttt85 -124.99 115.85 21.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.087 0.555 . . . . 0.0 109.97 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.518 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.4 mm? -84.57 154.61 22.51 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.941 0.896 . . . . 0.0 109.537 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -21.45 64.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.794 0.838 . . . . 0.0 112.182 177.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.82 -12.64 61.07 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.391 1.076 . . . . 0.0 111.514 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.72 -7.21 63.07 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -89.82 167.81 12.56 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.098 0.559 . . . . 0.0 110.141 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -147.61 166.44 27.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.692 0.797 . . . . 0.0 110.627 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.518 ' ND2' HD22 ' A' ' 42' ' ' LEU . 26.6 m-80 -136.55 133.09 36.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.553 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -101.16 143.13 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 31.0 m-85 -129.84 143.67 50.93 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.814 1.245 . . . . 0.0 108.787 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.22 169.58 23.93 Favored Glycine 0 N--CA 1.466 0.689 0 CA-C-O 119.06 -0.856 . . . . 0.0 111.179 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.88 111.18 2.11 Favored 'Trans proline' 0 C--N 1.367 1.55 0 C-N-CA 122.351 2.034 . . . . 0.0 110.931 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 123.333 0.653 . . . . 0.0 111.763 -176.25 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 CA--C 1.548 0.882 0 CA-C-O 120.951 0.405 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -65.54 135.25 54.88 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.001 0.92 . . . . 0.0 109.789 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -117.2 151.14 37.51 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 173.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.486 ' HB2' HD21 ' A' ' 112' ' ' LEU . 2.6 m-85 -100.48 172.11 7.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.713 -172.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.77 145.58 48.55 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.894 1.278 . . . . 0.0 107.999 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.636 ' HG1' ' HG2' ' A' ' 115' ' ' GLN . 13.2 m -79.7 102.23 8.86 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 25.8 mmm180 -68.39 -71.7 0.2 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 110.031 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 49' ' ' LEU . 77.1 mt -105.74 157.6 17.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.825 0.85 . . . . 0.0 108.88 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.54 135.46 15.55 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.507 0.323 . . . . 0.0 111.63 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.51 31.32 63.13 Favored Glycine 0 C--N 1.358 1.751 0 O-C-N 124.304 1.002 . . . . 0.0 113.254 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.5 -165.36 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 C-N-CA 125.009 1.324 . . . . 0.0 108.26 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -127.69 176.09 7.79 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.152 0.887 . . . . 0.0 110.962 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.57 -24.79 62.35 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 123.902 0.751 . . . . 0.0 113.824 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.32 -48.59 79.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.438 0.695 . . . . 0.0 110.349 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.71 -37.26 82.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.281 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.6 HG22 ' HD3' ' A' ' 39' ' ' ARG . 37.9 mm -65.29 -57.09 12.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.657 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.97 -24.65 68.0 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.002 0.814 . . . . 0.0 111.638 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.16 89.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.389 0.676 . . . . 0.0 110.912 174.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.488 HD22 HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -74.55 -40.52 61.64 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 178.229 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.4 mt -58.07 -29.04 65.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.111 0.564 . . . . 0.0 110.736 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.0 tp10 -68.98 -41.57 77.7 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 111.123 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -72.61 -53.22 12.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.807 0.443 . . . . 0.0 110.536 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HG2' ' HG ' ' A' ' 85' ' ' LEU . 21.9 mm-40 -63.55 -34.52 77.98 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.269 1.028 . . . . 0.0 112.214 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.8 ptt180 -64.65 -30.68 71.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.382 0.426 . . . . 0.0 111.293 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -66.15 -41.21 90.73 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.382 0.673 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.95 -42.25 27.35 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.135 0.574 . . . . 0.0 110.236 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -142.15 96.68 3.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.439 1.096 . . . . 0.0 109.629 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 t -77.14 -8.83 58.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.559 0.743 . . . . 0.0 110.904 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -84.89 9.55 14.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.439 0.695 . . . . 0.0 112.32 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.73 154.84 36.15 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 20.6 m95 -112.82 135.7 53.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.437 1.095 . . . . 0.0 109.306 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 58.3 t -109.48 125.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.483 HG21 HG22 ' A' ' 25' ' ' VAL . 22.1 t -119.78 123.12 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.4 pt-20 -87.08 129.6 34.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 169.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -126.77 131.3 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 42.7 tt0 -103.06 106.17 16.64 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.51 ' HG1' HD23 ' A' ' 109' ' ' LEU . 9.0 t -165.37 162.04 19.31 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.276 0.63 . . . . 0.0 110.621 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.99 -29.55 11.33 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.386 1.074 . . . . 0.0 109.765 171.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.94 99.68 9.6 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 108.948 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.427 HG12 HD13 ' A' ' 112' ' ' LEU . 8.5 tp -84.21 -35.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.953 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.17 69.16 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.46 0.544 . . . . 0.0 114.46 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -85.41 -27.53 25.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.127 0.571 . . . . 0.0 111.541 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD23 ' HG1' ' A' ' 103' ' ' THR . 2.6 pp -121.94 -3.26 9.15 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -168.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -159.98 137.76 9.9 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.671 0.788 . . . . 0.0 109.003 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 m -95.9 133.38 40.14 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.884 0.473 . . . . 0.0 111.104 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 70' ' ' PHE . 20.8 mt -127.21 151.02 49.24 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.828 0.851 . . . . 0.0 110.659 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.37 -24.64 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.949 0.9 . . . . 0.0 109.944 172.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -85.58 -65.89 0.96 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 111.068 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.636 ' HG2' ' HG1' ' A' ' 72' ' ' THR . 15.7 mm100 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.637 0.256 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.66 103.35 10.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -142.01 177.77 7.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.766 0.826 . . . . 0.0 110.665 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.642 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.3 ptpt -80.16 169.83 17.27 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.8 m -59.18 -46.38 88.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.545 1.138 . . . . 0.0 111.961 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.24 -36.02 82.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.993 0.917 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.7 tpt -77.34 -26.57 52.2 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.576 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -73.36 -45.79 52.89 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.47 -43.64 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 123.602 0.564 . . . . 0.0 111.328 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.2 p -65.14 -44.48 88.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.369 0.667 . . . . 0.0 110.421 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.2 -34.63 78.47 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.3 0.64 . . . . 0.0 111.613 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.405 1.082 . . . . 0.0 109.63 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.14 -40.84 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.902 178.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -69.37 -27.35 65.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.499 0.32 . . . . 0.0 111.074 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.461 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . 18.2 mtp180 -69.05 -43.31 74.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.492 0.317 . . . . 0.0 110.711 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.551 HG13 HD13 ' A' ' 109' ' ' LEU . 5.7 m -72.06 -37.73 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.936 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -69.05 -28.89 66.95 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.361 0.664 . . . . 0.0 110.401 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.4 64.4 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.15 0.58 . . . . 0.0 111.293 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.52 -0.61 54.49 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.706 0.802 . . . . 0.0 111.633 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.33 -11.55 71.44 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.969 -0.35 . . . . 0.0 113.719 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.44 -166.56 23.46 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 122.887 0.28 . . . . 0.0 113.468 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 84.1 t80 -129.06 156.57 43.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.553 1.141 . . . . 0.0 109.544 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -160.12 160.32 32.85 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.054 0.542 . . . . 0.0 111.814 173.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.25 133.6 1.8 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.052 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.05 109.43 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 122.955 0.502 . . . . 0.0 109.918 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.6 -66.02 0.94 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 110.92 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -100.09 146.78 26.39 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.807 0.443 . . . . 0.0 110.312 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 86.3 tttt -124.44 134.78 52.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.02 . . . . 0.0 109.488 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.95 -127.83 3.07 Favored Glycine 0 N--CA 1.471 0.997 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.7 131.61 34.56 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 117.539 0.67 . . . . 0.0 110.808 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 -46.17 69.8 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -87.26 -58.72 2.48 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.052 0.541 . . . . 0.0 111.904 -174.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.25 5.22 39.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.737 0.815 . . . . 0.0 112.716 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.14 159.2 51.57 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 -171.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.47 159.3 22.93 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 5' ' ' SER . 37.4 mm -137.62 117.88 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.552 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 33.0 m-85 -120.63 112.33 18.77 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.708 0.803 . . . . 0.0 109.206 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.41 134.74 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.776 0.83 . . . . 0.0 109.065 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.8 ptp180 -105.76 120.53 41.94 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 54.9 tt0 -88.02 127.51 35.39 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 43.6 ttt85 -106.15 105.96 16.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.36 126.03 31.1 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -7.14 9.48 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.86 -25.83 67.37 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.11 0.964 . . . . 0.0 110.401 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.61 7.25 9.9 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.594 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.91 167.94 10.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.499 0.72 . . . . 0.0 109.086 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 34.1 mt-10 -144.43 155.87 43.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.731 0.812 . . . . 0.0 110.102 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.482 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -124.85 164.73 19.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.457 1.503 . . . . 0.0 108.207 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' HG ' HG21 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -135.25 142.3 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 175.503 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.9 m-85 -129.94 155.24 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.457 1.103 . . . . 0.0 108.794 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.71 172.98 29.59 Favored Glycine 0 N--CA 1.465 0.582 0 CA-C-O 119.224 -0.765 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.86 125.02 12.08 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.992 1.795 . . . . 0.0 110.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 160.13 79.91 Favored Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.582 0.753 . . . . 0.0 111.485 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.4 88.23 0.16 Allowed 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.644 2.229 . . . . 0.0 110.795 171.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -71.76 145.15 48.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.778 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 p -79.31 61.81 3.5 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.175 0.59 . . . . 0.0 109.881 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . 22.9 p90 -79.51 107.98 12.69 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.14 87.41 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.852 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 61.26 42.17 12.34 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.105 0.962 . . . . 0.0 110.121 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 4.7 m-20 67.67 23.91 8.59 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.082 1.353 . . . . 0.0 114.186 176.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -65.48 -55.48 17.67 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.314 0.578 . . . . 0.0 110.618 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -8.3 10.86 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.93 -38.32 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.527 0.731 . . . . 0.0 110.673 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -136.15 7.76 3.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.615 0.766 . . . . 0.0 111.613 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 54.1 mmm-85 -116.22 -8.99 11.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.455 0.702 . . . . 0.0 110.768 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.72 153.82 46.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.683 0.793 . . . . 0.0 109.784 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -72.15 95.7 1.69 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.53 112.13 4.52 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.548 170.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -75.57 164.04 26.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.728 0.811 . . . . 0.0 109.57 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.53 177.31 4.96 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 123.756 0.822 . . . . 0.0 110.495 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -142.59 169.4 17.64 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.751 1.22 . . . . 0.0 108.947 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -97.65 108.44 21.15 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.457 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.1 mmt180 -68.59 -58.05 4.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.794 0.438 . . . . 0.0 109.925 174.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -126.5 158.29 36.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.659 0.783 . . . . 0.0 109.765 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.3 11.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.867 0.467 . . . . 0.0 111.204 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.99 35.81 92.47 Favored Glycine 0 C--N 1.353 1.505 0 O-C-N 123.934 0.771 . . . . 0.0 112.771 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.74 -167.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.688 1.195 . . . . 0.0 109.649 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.3 173.96 6.24 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.878 0.471 . . . . 0.0 110.668 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.33 -27.8 71.29 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 115.71 -0.677 . . . . 0.0 114.63 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.57 -46.13 84.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -60.02 -40.76 90.4 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.002 0.814 . . . . 0.0 111.052 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.521 HG21 ' HG ' ' A' ' 49' ' ' LEU . 47.2 mm -60.1 -56.91 14.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.838 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.68 69.47 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.296 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.85 80.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.5 0.72 . . . . 0.0 111.283 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.486 HD23 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.42 -39.46 24.9 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 121.872 0.069 . . . . 0.0 110.942 176.054 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.08 -28.33 64.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.991 0.517 . . . . 0.0 110.281 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.99 -43.28 88.26 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.624 1.57 . . . . 0.0 111.035 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -71.29 -47.67 55.48 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.051 0.54 . . . . 0.0 109.95 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.47 -37.95 80.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.028 0.931 . . . . 0.0 111.603 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -63.92 -35.67 81.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.226 0.329 . . . . 0.0 111.191 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -61.55 -48.96 78.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.408 0.683 . . . . 0.0 110.244 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -75.66 -46.14 33.07 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.532 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -146.73 93.04 2.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.701 0.8 . . . . 0.0 110.57 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -74.77 -1.37 21.75 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.128 0.971 . . . . 0.0 112.016 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.14 -1.96 16.88 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.265 0.626 . . . . 0.0 112.37 177.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.64 149.33 49.26 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.323 0.582 . . . . 0.0 110.565 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 12.4 m95 -101.92 159.28 15.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.552 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -130.28 126.13 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.22 123.8 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 13.9 pt-20 -87.48 111.82 21.57 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.419 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.4 pt -105.68 128.71 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 3.4 tm-20 -110.43 103.39 12.01 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.6 t -159.38 162.43 35.83 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.378 0.671 . . . . 0.0 110.149 -172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -83.91 -46.01 12.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.163 0.985 . . . . 0.0 109.942 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.86 155.7 18.41 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.419 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.443 HD13 HD22 ' A' ' 110' ' ' LEU . 9.8 tp -123.51 -37.43 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.1 0.56 . . . . 0.0 111.424 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.36 -34.59 89.78 Favored Glycine 0 C--N 1.35 1.348 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -166.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -72.67 -32.98 66.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.437 0.695 . . . . 0.0 111.731 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.551 HD13 HG13 ' A' ' 16' ' ' VAL . 2.6 pp -111.22 -0.94 16.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.403 0.681 . . . . 0.0 112.618 -168.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.443 HD22 HD13 ' A' ' 106' ' ' ILE . 56.7 tp -171.87 117.21 0.39 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 109.213 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.8 m -89.64 137.9 31.94 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.433 0.693 . . . . 0.0 110.666 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.19 148.65 52.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.75 1.22 . . . . 0.0 110.53 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.4 -30.19 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.134 0.974 . . . . 0.0 109.891 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.86 -57.7 4.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.077 0.951 . . . . 0.0 110.028 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.54 145.05 84.4 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.364 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.43 164.05 30.02 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.16 2.573 . . . . 0.0 113.09 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -81.2 150.38 28.66 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.533 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.108 0 C-N-CA 123.202 0.601 . . . . 0.0 110.516 -178.322 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 -80.33 105.15 11.37 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.569 1.147 . . . . 0.0 110.005 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.414 HD21 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.52 -179.44 7.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.982 0.913 . . . . 0.0 111.09 -177.381 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 50.7 mtmt -66.78 163.75 18.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.775 0.43 . . . . 0.0 110.984 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.506 ' HB3' HD12 ' A' ' 36' ' ' ILE . 3.8 m -64.35 -40.88 96.73 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.386 1.075 . . . . 0.0 110.233 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.24 -50.58 72.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.441 1.096 . . . . 0.0 110.49 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.414 ' HG3' HD21 ' A' ' 3' ' ' LEU . 10.8 tpt -67.8 -26.51 66.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.426 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.57 -47.73 74.79 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.392 0.677 . . . . 0.0 109.643 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.34 -53.48 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 124.127 0.892 . . . . 0.0 111.043 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -58.75 -41.65 87.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.886 -176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.17 -41.46 81.48 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.485 0.49 . . . . 0.0 110.952 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.41 -43.09 97.05 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.336 1.054 . . . . 0.0 110.387 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 23' ' ' ALA . 87.5 mt -58.84 -45.72 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.159 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.447 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 2.1 mpt_? -72.66 -23.76 60.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.759 0.423 . . . . 0.0 111.551 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.3 mtp180 -65.58 -44.95 85.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.804 0.442 . . . . 0.0 110.635 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.52 HG12 HD11 ' A' ' 109' ' ' LEU . 3.9 m -72.97 -35.08 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -70.97 -29.01 64.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.003 0.521 . . . . 0.0 110.551 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.36 83.45 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.937 0.495 . . . . 0.0 110.572 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.01 -25.51 59.93 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.656 0.782 . . . . 0.0 111.419 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.42 -3.14 29.48 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 123.344 0.497 . . . . 0.0 113.382 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.11 -150.6 4.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.381 0.515 . . . . 0.0 114.384 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.0 t80 -140.6 156.63 46.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.353 1.061 . . . . 0.0 109.741 -174.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB2' HG21 ' A' ' 13' ' ' ILE . . . -160.56 159.26 30.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.631 0.772 . . . . 0.0 110.869 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 121.6 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.315 1.01 . . . . 0.0 110.016 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.37 107.94 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.337 0.589 . . . . 0.0 110.59 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -81.01 -64.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.141 0.976 . . . . 0.0 111.349 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -91.88 146.78 23.48 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.81 0.444 . . . . 0.0 109.85 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -134.59 130.97 37.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.882 0.873 . . . . 0.0 110.215 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.32 -128.51 2.84 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 123.314 0.384 . . . . 0.0 112.879 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.81 140.47 34.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.281 0.632 . . . . 0.0 111.662 -172.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 32.5 mt-10 -75.6 -53.51 8.48 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.34 -35.76 12.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.65 1.7 21.45 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.21 147.93 46.72 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -169.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.509 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.56 156.28 32.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 167.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 5' ' ' SER . 29.9 mm -137.77 117.26 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 56.9 m-85 -118.71 111.87 19.05 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.531 0.682 . . . . 0.0 109.629 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.79 131.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.217 1.007 . . . . 0.0 108.962 -172.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.496 HH21 ' HG2' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -113.5 115.06 27.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.129 0.572 . . . . 0.0 109.801 -179.225 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 41.0 tt0 -95.29 119.71 34.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.096 0.559 . . . . 0.0 111.226 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -86.43 118.61 25.97 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.445 0.698 . . . . 0.0 110.106 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.7 mm? -73.53 149.7 42.04 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 168.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.86 -12.27 60.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.553 0.741 . . . . 0.0 111.264 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.21 -20.4 63.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 27.68 8.02 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.071 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HB2' HD23 ' A' ' 42' ' ' LEU . 19.7 mmt180 -121.32 174.33 6.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.364 1.066 . . . . 0.0 110.031 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' HH21 ' A' ' 39' ' ' ARG . 17.0 mp0 -132.66 164.81 25.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.088 0.955 . . . . 0.0 110.347 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 28.5 m-80 -130.41 173.35 10.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.166 1.386 . . . . 0.0 107.574 172.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 HD21 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -147.17 141.09 25.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.425 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.2 m-85 -131.23 152.81 50.14 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.445 1.098 . . . . 0.0 108.769 -176.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.43 162.51 29.3 Favored Glycine 0 C--N 1.335 0.483 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.768 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.58 124.22 13.35 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 111.384 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.24 152.4 39.37 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 123.211 0.604 . . . . 0.0 110.351 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.65 102.99 0.65 Allowed 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.3 2.0 . . . . 0.0 110.455 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -68.13 161.95 25.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.736 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 m -76.5 124.09 27.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -146.76 145.62 30.01 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.45 0.7 . . . . 0.0 110.388 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.1 102.97 9.76 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.499 0.719 . . . . 0.0 109.126 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.67 53.83 5.74 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.237 -175.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 55.37 18.8 2.73 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 31.9 mm-40 -69.92 -61.54 1.74 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.256 0.551 . . . . 0.0 110.822 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.6 m-20 -71.21 -6.64 41.14 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.738 -168.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mm -53.08 -39.66 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.662 0.785 . . . . 0.0 109.933 167.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.8 mtm -111.88 -12.49 13.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.588 1.155 . . . . 0.0 111.497 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.482 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 18.8 mmm180 -99.52 -7.22 26.23 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.091 0.556 . . . . 0.0 111.14 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -147.1 159.77 43.21 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.432 1.093 . . . . 0.0 109.233 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 148.24 31.03 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.326 0.584 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -63.21 97.81 0.13 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.107 165.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -79.88 150.58 30.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.607 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.424 ' CE2' ' HB ' ' A' ' 36' ' ' ILE . 3.5 m-85 -101.49 173.41 6.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.228 0.537 . . . . 0.0 111.621 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -138.14 169.45 17.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 108.568 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.446 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 26.1 m -100.47 113.14 25.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 mmt180 -70.87 -59.53 2.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.447 0.699 . . . . 0.0 109.838 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 mt -126.62 160.48 30.56 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.989 0.915 . . . . 0.0 109.359 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.37 134.94 11.6 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.263 0.483 . . . . 0.0 111.648 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.18 26.67 66.25 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.811 0.694 . . . . 0.0 113.775 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.38 -169.47 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.073 0.949 . . . . 0.0 110.111 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.3 pt-20 -103.58 161.49 13.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.353 0.661 . . . . 0.0 110.52 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -21.92 63.64 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 115.723 -0.672 . . . . 0.0 114.232 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.99 -38.57 79.37 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.007 0.523 . . . . 0.0 110.466 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 38.3 mm-40 -67.62 -35.52 79.09 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.04 0.536 . . . . 0.0 110.858 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.7 mm -61.7 -55.88 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.492 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.36 70.42 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.973 0.509 . . . . 0.0 111.622 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.01 81.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.528 0.731 . . . . 0.0 111.856 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD21 HD11 ' A' ' 49' ' ' LEU . 1.4 tp -82.7 -43.57 16.71 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.9 -34.86 63.53 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.368 0.667 . . . . 0.0 111.504 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.53 -33.52 75.22 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.762 0.664 . . . . 0.0 110.684 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -73.77 -53.77 9.54 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.332 0.653 . . . . 0.0 109.584 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.38 -33.86 76.45 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.599 -175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.435 ' HA ' HD22 ' A' ' 96' ' ' LEU . 46.3 ptt85 -72.22 -29.95 64.45 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 123.542 0.526 . . . . 0.0 111.799 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -63.02 -42.34 99.77 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.797 0.439 . . . . 0.0 110.359 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -82.7 -42.21 18.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.612 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.78 88.39 2.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.785 0.834 . . . . 0.0 109.439 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -72.62 -11.61 60.71 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.718 0.807 . . . . 0.0 112.166 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.1 10.85 3.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.367 1.067 . . . . 0.0 112.302 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -72.87 145.21 47.06 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.942 0.401 . . . . 0.0 110.402 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -104.07 125.78 50.68 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 84.0 t -101.18 114.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.96 113.69 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -90.41 108.09 19.56 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.413 0.625 . . . . 0.0 109.882 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 40' ' ' GLN . 48.1 pt -104.76 135.92 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 34.4 tt0 -106.4 117.94 35.35 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.4 t -169.4 164.09 10.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.055 0.942 . . . . 0.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.32 -38.16 10.65 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.886 0.875 . . . . 0.0 109.971 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -101.72 136.54 41.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.588 1.155 . . . . 0.0 109.705 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.471 HD12 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -106.17 -36.79 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 122.545 0.338 . . . . 0.0 111.468 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.8 -31.05 76.81 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 123.442 0.464 . . . . 0.0 114.035 -168.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -78.07 -21.15 51.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.119 0.568 . . . . 0.0 112.529 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -128.05 4.03 5.88 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.374 0.67 . . . . 0.0 112.545 -169.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD23 HD12 ' A' ' 106' ' ' ILE . 52.5 tp -167.33 132.21 1.97 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.199 0.999 . . . . 0.0 109.042 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -89.93 133.79 34.58 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.71 0.804 . . . . 0.0 110.644 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.411 HD11 HG12 ' A' ' 106' ' ' ILE . 20.7 mt -134.31 155.06 50.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.003 0.921 . . . . 0.0 110.23 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.05 -17.16 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.359 1.063 . . . . 0.0 110.018 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -86.58 -63.94 1.23 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.72 0.808 . . . . 0.0 111.094 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.446 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 31.0 mm-40 -62.37 130.23 93.05 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 122.789 0.436 . . . . 0.0 111.239 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.96 117.94 4.98 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.503 2.136 . . . . 0.0 110.79 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -75.5 -29.93 59.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.482 0.713 . . . . 0.0 110.77 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.21 1.004 . . . . 0.0 108.777 177.131 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 ttm . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -75.05 116.8 16.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.421 0.688 . . . . 0.0 109.173 170.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -158.65 -174.56 4.84 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.07 0.948 . . . . 0.0 109.829 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mttt -67.07 161.52 24.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.144 0.577 . . . . 0.0 111.735 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.494 ' HB3' HD12 ' A' ' 36' ' ' ILE . 4.6 m -56.47 -45.65 80.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 109.797 164.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -57.12 -46.48 82.6 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 126.169 1.787 . . . . 0.0 112.316 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.489 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.2 tpt -77.04 -26.83 54.1 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -72.65 -47.53 46.83 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.84 -39.58 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 123.703 0.627 . . . . 0.0 110.692 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -63.66 -51.11 66.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.705 0.628 . . . . 0.0 109.69 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.43 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.27 -34.61 73.98 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.677 0.791 . . . . 0.0 111.93 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.13 -40.89 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.74 1.216 . . . . 0.0 109.898 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.472 ' O ' HG23 ' A' ' 16' ' ' VAL . 96.6 mt -60.59 -44.56 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.076 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -73.08 -24.49 60.67 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 122.155 -0.34 . . . . 0.0 110.786 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 27.1 mtp180 -62.03 -45.7 92.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.714 0.406 . . . . 0.0 110.314 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.499 HG11 HD13 ' A' ' 109' ' ' LEU . 4.2 m -73.36 -38.12 52.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -176.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -68.33 -28.61 67.3 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.938 0.495 . . . . 0.0 110.78 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.13 63.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.168 0.587 . . . . 0.0 111.38 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 -21.06 18.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.573 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.38 2.8 31.15 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-O 119.968 -0.351 . . . . 0.0 113.818 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 -174.4 47.31 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.397 0.522 . . . . 0.0 113.603 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -117.29 156.75 27.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.704 1.202 . . . . 0.0 109.823 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -161.81 157.41 24.08 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.413 0.685 . . . . 0.0 111.788 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.38 132.64 2.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.748 0.819 . . . . 0.0 110.829 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG21 HD11 ' A' ' 13' ' ' ILE . 52.9 t -75.35 101.77 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.482 0.713 . . . . 0.0 110.454 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -74.21 -59.05 2.9 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.74 0.816 . . . . 0.0 110.896 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -109.59 147.81 32.37 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.382 0.673 . . . . 0.0 110.066 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.58 122.94 21.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.027 0.931 . . . . 0.0 110.771 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.4 -134.7 6.06 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.575 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 130.97 42.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.469 0.708 . . . . 0.0 110.435 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.444 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 46.6 mt-10 -56.96 -50.91 71.21 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.76 -48.66 5.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.09 2.93 35.4 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 144.98 44.97 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 123.363 0.414 . . . . 0.0 114.022 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.47 157.47 35.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.373 0.669 . . . . 0.0 110.19 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.494 HD12 ' HB3' ' A' ' 5' ' ' SER . 9.4 mm -127.39 137.98 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 59.2 m-85 -133.57 112.96 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.379 1.071 . . . . 0.0 108.977 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.85 129.79 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.9 0.88 . . . . 0.0 109.316 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -106.71 126.45 52.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' OE1' ' HB ' ' A' ' 106' ' ' ILE . 37.6 tt0 -98.59 115.07 27.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.553 0.341 . . . . 0.0 110.204 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -88.8 113.82 24.76 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.79 157.58 34.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.233 1.013 . . . . 0.0 110.945 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -14.85 62.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.346 0.659 . . . . 0.0 111.846 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.14 -16.83 64.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 0.0 111.705 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 31.99 25.74 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -124.67 170.75 10.67 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 109.253 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -135.69 158.65 43.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.066 0.946 . . . . 0.0 110.184 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 26.6 m-80 -113.82 174.72 5.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.996 1.319 . . . . 0.0 108.238 169.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' HB2' HD11 ' A' ' 82' ' ' ILE . 13.7 tp -142.85 137.36 29.54 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 170.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 50.8 m-85 -132.13 117.19 17.97 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.72 179.55 21.32 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.407 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.464 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 5.1 Cg_exo -72.69 111.1 3.16 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.441 2.094 . . . . 0.0 109.314 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.36 34.91 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.059 0.849 . . . . 0.0 112.062 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.19 74.09 1.51 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.703 2.269 . . . . 0.0 109.504 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.78 162.26 27.81 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.073 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -74.99 74.95 2.2 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.519 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 20.4 p90 -92.79 89.94 6.83 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.83 97.22 0.33 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.23 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.09 33.12 7.75 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.506 1.123 . . . . 0.0 110.622 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 1.8 m-20 61.87 25.58 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 124.725 1.21 . . . . 0.0 113.243 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -71.15 -57.25 4.69 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 5.9 m-20 -63.88 -5.5 4.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.0 mm -56.44 -47.02 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.421 0.689 . . . . 0.0 109.964 169.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 mtm -114.34 -35.3 5.01 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.75 1.22 . . . . 0.0 111.203 -176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -78.45 -7.47 57.45 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.071 0.949 . . . . 0.0 110.895 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.81 160.0 41.09 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 124.788 1.235 . . . . 0.0 108.417 169.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.78 135.51 46.74 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -84.75 123.0 29.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.371 0.669 . . . . 0.0 110.275 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.94 153.35 18.26 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -100.31 173.79 6.43 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.618 0.367 . . . . 0.0 110.944 -173.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 16.1 pt-20 -135.68 149.62 49.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.478 1.111 . . . . 0.0 108.444 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -83.07 101.32 11.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -76.24 -48.76 19.15 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.787 0.835 . . . . 0.0 109.687 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -134.53 156.7 48.18 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.625 1.17 . . . . 0.0 108.812 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.91 127.67 7.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.175 0.59 . . . . 0.0 110.657 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.46 26.25 71.74 Favored Glycine 0 C--N 1.352 1.446 0 O-C-N 123.887 0.742 . . . . 0.0 113.897 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.04 -167.56 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.174 0.989 . . . . 0.0 109.448 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 1.8 pm0 -105.8 160.45 15.23 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.277 0.631 . . . . 0.0 110.456 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.13 -16.54 60.12 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.939 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.19 -41.75 89.8 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.793 0.837 . . . . 0.0 110.452 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 35.8 mm-40 -71.17 -37.39 72.17 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.552 0.741 . . . . 0.0 111.16 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 HD11 ' HB2' ' A' ' 49' ' ' LEU . 37.3 mm -61.1 -53.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.32 72.47 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.059 0.944 . . . . 0.0 111.856 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.62 88.63 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.871 0.732 . . . . 0.0 111.529 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.61 -44.25 17.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 123.16 0.287 . . . . 0.0 111.23 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.0 mt -53.45 -33.67 55.03 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.125 0.57 . . . . 0.0 111.654 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.38 -32.53 64.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.793 0.683 . . . . 0.0 110.585 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.31 -48.33 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.428 0.632 . . . . 0.0 109.516 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.22 -51.39 63.92 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.65 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ptt85 -59.0 -29.78 67.49 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.85 -45.17 93.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.785 0.834 . . . . 0.0 111.025 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -87.82 -44.0 11.43 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.097 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.75 102.25 6.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.934 1.294 . . . . 0.0 109.242 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.8 t -70.73 -17.42 62.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.405 1.082 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -76.31 0.05 20.76 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.42 159.39 29.47 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.724 0.773 . . . . 0.0 112.019 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.85 148.18 42.36 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.439 1.495 . . . . 0.0 108.281 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 90.9 t -122.94 126.52 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.17 117.0 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.1 pt-20 -87.98 112.21 22.34 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.42 HG22 ' HB2' ' A' ' 23' ' ' ALA . 31.8 pt -102.8 159.84 4.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -138.86 118.38 12.94 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.5 t -172.4 165.55 5.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.972 0.909 . . . . 0.0 108.921 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.27 -31.22 17.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.483 0.713 . . . . 0.0 110.786 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -123.93 133.94 53.62 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.718 0.807 . . . . 0.0 110.68 -174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.508 ' HB ' ' OE1' ' A' ' 40' ' ' GLN . 9.8 tp -95.04 -34.53 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.723 0.809 . . . . 0.0 111.075 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.93 -21.2 63.19 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 -164.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -86.01 -34.74 20.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 117.124 0.462 . . . . 0.0 111.448 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.499 HD13 HG11 ' A' ' 16' ' ' VAL . 1.6 pp -112.47 3.21 16.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.607 0.763 . . . . 0.0 112.801 -167.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 tp -168.04 146.48 4.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.9 0.88 . . . . 0.0 109.305 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.4 m -103.59 134.38 47.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.098 0.559 . . . . 0.0 111.341 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 115' ' ' GLN . 33.8 mt -121.69 157.65 30.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.022 0.929 . . . . 0.0 110.104 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.0 m -91.8 -12.71 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.74 0.816 . . . . 0.0 110.004 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -95.64 -76.55 0.5 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.221 0.608 . . . . 0.0 110.656 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.525 ' HB2' HD12 ' A' ' 112' ' ' LEU . 27.6 mm-40 -68.85 147.97 97.91 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 0.0 111.713 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.61 146.59 33.71 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.756 2.97 . . . . 0.0 112.538 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -88.94 -20.24 24.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.566 0.746 . . . . 0.0 110.584 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 123.717 0.807 . . . . 0.0 109.183 177.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.515 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 81.3 mtm180 62.7 89.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.257 1.023 . . . . 0.0 111.036 -173.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.62 173.51 12.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.787 1.235 . . . . 0.0 109.594 -175.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.5 ptpp? -80.08 173.07 12.97 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.384 0.428 . . . . 0.0 110.38 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.531 ' HB3' HD12 ' A' ' 36' ' ' ILE . 11.7 m -58.18 -45.22 87.89 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.095 0.958 . . . . 0.0 111.756 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.59 -50.09 75.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.91 1.284 . . . . 0.0 111.235 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.8 tpt -74.18 -23.86 59.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.83 -174.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.08 -46.05 79.07 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.4 -40.75 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.584 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.447 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 26.0 t -58.48 -41.25 84.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.165 0.586 . . . . 0.0 110.124 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.66 -35.38 67.71 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.914 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.181 0.992 . . . . 0.0 111.091 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.72 -46.46 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' A' ' 10' ' ' SER . 3.7 mpt_? -69.84 -29.6 66.9 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.269 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 77.4 mtt180 -61.5 -48.36 81.41 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.176 0.59 . . . . 0.0 110.558 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 HD13 ' A' ' 109' ' ' LEU . 4.3 m -73.06 -37.37 53.06 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.075 -174.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -68.17 -30.09 69.12 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.72 0.408 . . . . 0.0 110.695 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.49 76.02 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.924 0.49 . . . . 0.0 110.277 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.17 53.35 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.085 0.954 . . . . 0.0 112.1 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.72 -8.74 47.19 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.9 -0.389 . . . . 0.0 113.677 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.49 -173.04 41.82 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 123.523 0.19 . . . . 0.0 113.322 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.409 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 88.9 t80 -119.81 157.43 28.67 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.445 1.098 . . . . 0.0 108.921 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.451 ' HB3' HG23 ' A' ' 16' ' ' VAL . . . -157.33 158.4 35.93 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.089 0.555 . . . . 0.0 111.066 173.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.27 134.2 2.83 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.304 1.003 . . . . 0.0 109.829 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -78.95 98.93 2.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.996 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -70.22 -59.45 2.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.38 0.672 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -111.75 145.82 38.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.549 0.74 . . . . 0.0 109.55 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -119.91 139.21 52.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.498 1.119 . . . . 0.0 108.912 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.29 -137.31 4.26 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-O 119.811 -0.439 . . . . 0.0 112.056 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.87 129.54 37.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.303 0.641 . . . . 0.0 110.074 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.96 -41.02 52.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.872 0.469 . . . . 0.0 111.972 -169.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -84.23 -50.39 7.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.789 0.436 . . . . 0.0 111.86 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.49 14.45 13.66 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.46 150.76 43.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 113.831 0.292 . . . . 0.0 113.831 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.431 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.23 157.65 37.32 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 171.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -136.74 106.31 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 68.3 m-85 -109.07 112.42 24.59 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 109.559 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -107.35 126.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 124.704 1.201 . . . . 0.0 108.728 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -107.83 108.23 19.33 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.984 0.914 . . . . 0.0 108.732 -178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.427 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.0 tt0 -82.85 110.03 17.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.493 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.512 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 42.2 ttm180 -76.72 102.65 6.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.372 0.669 . . . . 0.0 109.469 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.7 mm? -66.06 144.71 56.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.471 0.709 . . . . 0.0 109.761 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.8 -17.24 64.49 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.122 0.569 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.17 -13.61 60.47 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.632 0.773 . . . . 0.0 111.727 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.17 14.14 46.4 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -101.32 179.52 4.34 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.524 0.729 . . . . 0.0 109.158 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 26.3 mt-10 -146.08 144.33 29.96 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.433 0.635 . . . . 0.0 110.971 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -112.88 161.39 17.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.58 1.152 . . . . 0.0 107.893 169.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -129.41 141.67 50.99 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 175.235 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 73.2 m-85 -131.24 146.68 52.41 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.79 1.236 . . . . 0.0 108.76 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.77 165.22 27.29 Favored Glycine 0 N--CA 1.464 0.526 0 CA-C-O 119.288 -0.729 . . . . 0.0 111.651 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 108.82 2.1 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.574 2.183 . . . . 0.0 111.222 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 154.3 85.94 Favored Pre-proline 0 C--O 1.247 0.94 0 C-N-CA 123.583 0.753 . . . . 0.0 110.961 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.63 114.7 2.66 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.449 2.1 . . . . 0.0 110.157 172.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -64.24 133.99 53.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.895 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.3 m -78.41 92.62 4.61 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 47.7 p90 -119.95 146.53 45.73 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.895 0.478 . . . . 0.0 111.767 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.77 100.69 9.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.073 0.949 . . . . 0.0 108.479 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 t70 61.31 38.76 16.15 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.895 1.278 . . . . 0.0 111.181 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 69.89 9.46 7.13 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.752 1.621 . . . . 0.0 113.875 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -65.52 -50.9 63.52 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.546 0.338 . . . . 0.0 111.116 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 2.6 m-20 -67.6 -9.42 42.73 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.655 0.782 . . . . 0.0 113.011 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.64 -34.91 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 121.624 0.726 . . . . 0.0 109.782 170.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.3 mtm -102.77 -26.19 13.24 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 111.403 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -74.79 -27.28 60.25 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 120.52 0.2 . . . . 0.0 110.689 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.3 152.84 35.11 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.219 1.007 . . . . 0.0 109.179 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -73.02 149.04 43.58 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.014 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.24 121.49 16.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 109.919 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -72.46 167.29 20.89 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.327 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 173.9 6.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.163 0.585 . . . . 0.0 110.852 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.91 160.08 41.89 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 109.49 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.7 m -92.4 105.52 17.69 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.191 0.596 . . . . 0.0 109.525 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 30.1 mmm180 -74.85 -63.57 1.23 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.586 0.754 . . . . 0.0 109.853 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -114.11 160.2 19.19 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.43 0.692 . . . . 0.0 109.493 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.35 121.42 6.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.641 0.376 . . . . 0.0 111.386 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.47 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.95 26.61 72.19 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.548 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.36 -168.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.442 1.097 . . . . 0.0 110.182 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.6 170.59 7.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.16 0.584 . . . . 0.0 110.875 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -18.33 63.79 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.979 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.58 -42.06 74.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.637 0.775 . . . . 0.0 110.32 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.77 -36.9 73.28 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.621 0.769 . . . . 0.0 110.729 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.488 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.0 mm -61.37 -56.26 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.704 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.87 70.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 0.0 111.346 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -59.24 -44.71 92.34 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.883 0.739 . . . . 0.0 110.813 176.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.455 HD22 HD11 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.62 -41.26 32.06 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.235 0.335 . . . . 0.0 111.252 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.59 -33.82 64.28 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.176 0.59 . . . . 0.0 111.103 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.99 56.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.274 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 28.9 mtp180 -74.4 -39.36 62.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.807 0.443 . . . . 0.0 110.133 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -75.22 -38.8 60.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -65.6 -28.74 69.35 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.357 0.411 . . . . 0.0 111.4 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -60.25 -43.08 96.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.932 0.893 . . . . 0.0 111.034 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -82.4 -53.98 5.58 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.14 100.61 5.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.015 0.926 . . . . 0.0 109.666 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -74.31 -1.99 23.19 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.378 0.671 . . . . 0.0 110.442 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.9 4.49 5.25 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.442 1.497 . . . . 0.0 112.452 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -78.61 150.61 32.66 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 118.237 0.471 . . . . 0.0 110.417 176.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -105.82 126.07 51.73 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.404 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.67 118.21 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.73 117.42 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.96 122.86 31.4 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 23' ' ' ALA . 45.5 pt -118.8 120.85 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.81 101.73 13.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.1 t -157.23 157.91 35.17 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.527 0.679 . . . . 0.0 111.098 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.67 -29.03 40.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.817 1.247 . . . . 0.0 111.664 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.79 -175.67 3.8 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.573 0.749 . . . . 0.0 110.549 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tp -132.75 -23.06 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.667 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.78 -34.42 82.9 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -162.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -83.99 -17.09 41.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.945 0.498 . . . . 0.0 112.327 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.495 HD13 HG11 ' A' ' 16' ' ' VAL . 3.1 pp -127.31 4.71 6.32 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -166.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.8 tp -167.29 131.72 1.91 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.031 0.932 . . . . 0.0 109.127 172.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -92.11 130.99 37.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.466 0.706 . . . . 0.0 110.361 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.7 158.7 37.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.977 0.911 . . . . 0.0 110.481 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.15 -27.27 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.131 0.972 . . . . 0.0 109.753 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.69 -67.3 0.68 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 110.505 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -65.09 143.47 98.87 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.822 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.71 157.05 44.39 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.926 2.417 . . . . 0.0 112.715 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.88 -19.33 61.31 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.143 173.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 C-N-CA 123.949 0.9 . . . . 0.0 109.13 172.323 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 27.3 mmt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 61.05 27.76 17.57 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.803 1.241 . . . . 0.0 111.726 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' HG ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -89.64 170.64 10.29 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.502 -176.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 16.4 ptpt -78.63 178.77 7.57 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.394 0.678 . . . . 0.0 111.564 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.516 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -56.73 -53.85 52.97 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.383 1.073 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.08 -54.49 46.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.931 1.292 . . . . 0.0 111.084 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.5 tpt -66.37 -27.56 67.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.751 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.47 -48.81 66.08 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.74 -48.44 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 0.0 111.44 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 45.9 m -57.92 -41.84 83.54 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.525 0.73 . . . . 0.0 111.019 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.92 -33.88 66.23 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.666 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.5 -41.45 93.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.111 1.364 . . . . 0.0 110.771 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.443 ' O ' HG21 ' A' ' 16' ' ' VAL . 84.0 mt -65.43 -35.57 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.235 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.7 mpt_? -74.47 -29.06 61.3 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.172 0.589 . . . . 0.0 111.386 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 50.1 mtt180 -61.87 -43.4 98.91 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.326 0.65 . . . . 0.0 111.305 177.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG13 HD12 ' A' ' 109' ' ' LEU . 4.5 m -72.33 -36.63 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.91 -176.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.76 -29.66 68.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.789 0.436 . . . . 0.0 110.063 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.1 77.37 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.554 0.534 . . . . 0.0 110.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -9.79 58.71 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.687 0.795 . . . . 0.0 111.854 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.02 -9.93 65.73 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.946 -0.363 . . . . 0.0 113.421 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.24 -176.99 50.52 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.58 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.5 t80 -112.82 153.83 27.23 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.832 0.853 . . . . 0.0 110.47 -173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -161.08 163.9 31.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 111.749 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 135.77 0.24 Allowed 'General case' 0 C--N 1.35 0.605 0 O-C-N 125.005 1.44 . . . . 0.0 108.81 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.89 119.77 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.187 0.518 . . . . 0.0 110.09 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -80.93 -66.08 0.93 Allowed 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.334 1.054 . . . . 0.0 110.503 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -99.64 142.86 30.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 110.648 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -120.53 132.72 55.31 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.318 1.047 . . . . 0.0 109.449 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.01 -134.02 4.2 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-O 119.917 -0.38 . . . . 0.0 112.54 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.66 132.84 35.31 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.381 0.672 . . . . 0.0 110.613 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -69.37 -41.23 76.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.605 0.762 . . . . 0.0 112.703 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.529 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -90.92 -55.67 3.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.099 0.56 . . . . 0.0 112.098 -173.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.36 20.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.775 0.83 . . . . 0.0 112.736 -168.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.67 150.81 49.92 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.001 0.188 . . . . 0.0 113.507 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 162.87 28.43 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.516 HD11 ' HB3' ' A' ' 5' ' ' SER . 15.3 mm -137.76 105.08 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.525 ' HB2' HD12 ' A' ' 96' ' ' LEU . 52.0 m-85 -107.67 113.35 26.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.408 0.623 . . . . 0.0 109.654 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.35 130.06 61.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 C-N-CA 124.2 1.0 . . . . 0.0 109.099 -172.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 7.1 ptp180 -106.0 128.23 53.69 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.74 120.04 41.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 109.884 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 29.3 ttp180 -80.88 113.86 19.38 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 HD23 ' ND2' ' A' ' 48' ' ' ASN . 3.4 mm? -76.94 155.54 32.67 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.504 0.722 . . . . 0.0 109.818 172.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -68.64 -17.98 64.2 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.023 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -64.42 -21.68 66.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 111.809 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.82 -15.37 44.75 Favored Glycine 0 C--N 1.343 0.947 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -83.74 178.54 7.89 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.913 0.885 . . . . 0.0 111.478 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.519 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 40.0 mt-10 -142.75 146.14 34.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.468 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.479 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -104.58 164.28 11.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.611 167.614 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -131.64 141.08 49.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 173.821 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.441 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 56.0 m-85 -127.19 153.38 46.14 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 124.422 1.089 . . . . 0.0 108.488 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.37 166.05 30.04 Favored Glycine 0 N--CA 1.459 0.206 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 112.53 3.06 Favored 'Trans proline' 0 C--N 1.364 1.369 0 C-N-CA 121.922 1.748 . . . . 0.0 110.531 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.96 148.55 87.94 Favored Pre-proline 0 N--CA 1.473 0.722 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.042 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.74 91.27 0.07 OUTLIER 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.6 117.97 4.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.04 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 p -74.07 79.06 1.72 Allowed 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.591 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 27.3 p90 -91.72 142.4 27.64 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.581 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.19 115.62 26.33 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.151 0.98 . . . . 0.0 108.741 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 63.42 23.64 13.79 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.984 1.313 . . . . 0.0 111.993 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 64.02 16.68 10.11 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.352 1.061 . . . . 0.0 113.163 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.25 -54.09 6.31 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.591 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 18.8 t70 -57.54 -16.12 9.13 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.934 1.294 . . . . 0.0 113.282 -175.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -47.82 -51.13 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.658 1.183 . . . . 0.0 111.332 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.48 -18.96 10.27 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.797 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -72.94 -14.5 61.47 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 122.609 0.364 . . . . 0.0 111.105 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.97 155.84 45.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.318 1.047 . . . . 0.0 109.155 171.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -85.38 140.92 30.37 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.559 0.344 . . . . 0.0 110.142 177.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -66.84 123.45 20.2 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.974 0.796 . . . . 0.0 109.659 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -94.41 154.77 17.29 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -101.1 175.99 5.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.437 0.695 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -144.59 160.67 40.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.912 1.285 . . . . 0.0 108.781 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.1 m -93.96 100.9 12.97 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.51 -54.08 19.13 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.532 0.733 . . . . 0.0 110.523 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -121.23 155.86 33.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 0.0 109.374 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.38 123.92 12.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.563 0.345 . . . . 0.0 111.006 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.479 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 65.19 30.19 77.21 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.987 0.805 . . . . 0.0 114.008 172.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.55 159.08 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.881 0.873 . . . . 0.0 110.145 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -72.02 166.26 22.59 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.124 0.569 . . . . 0.0 111.288 -178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -20.95 65.81 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.237 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.96 -48.63 79.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.064 0.945 . . . . 0.0 110.066 172.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.5 -34.76 72.71 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.651 0.78 . . . . 0.0 111.895 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' HA ' HD13 ' A' ' 49' ' ' LEU . 38.9 mm -65.06 -52.56 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 122.868 0.467 . . . . 0.0 110.003 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -29.36 69.86 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.358 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -61.59 -39.26 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.746 0.654 . . . . 0.0 111.09 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 HD22 HD12 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -80.94 -43.83 19.16 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 123.061 0.226 . . . . 0.0 111.512 176.416 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.53 -28.07 65.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.899 0.479 . . . . 0.0 111.319 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -36.07 64.9 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.654 0.596 . . . . 0.0 109.996 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 75.0 mtp180 -74.48 -35.82 63.27 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.223 0.609 . . . . 0.0 110.969 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -74.18 -44.86 51.82 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.243 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -65.06 -29.03 69.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.402 0.439 . . . . 0.0 111.614 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.31 -48.15 79.28 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.692 0.797 . . . . 0.0 110.488 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -86.16 -20.36 28.72 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.49 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -166.43 101.79 0.61 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.142 0.977 . . . . 0.0 108.575 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 t -77.31 -1.88 32.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.662 . . . . 0.0 111.656 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.03 14.8 11.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.094 0.558 . . . . 0.0 112.421 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.525 HD12 ' HB2' ' A' ' 37' ' ' PHE . 2.6 pt? -77.12 151.61 35.3 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 166.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -105.94 124.26 49.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 86.1 t -98.21 116.12 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.83 119.47 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.465 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.7 pt-20 -87.22 107.9 18.69 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.72 157.63 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 169.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 1.5 tm-20 -142.48 107.57 4.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -171.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -172.35 164.52 5.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.729 0.812 . . . . 0.0 109.816 -172.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -92.63 -29.34 16.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.794 0.838 . . . . 0.0 111.029 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.15 148.91 39.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 110.203 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.44 HD13 HD22 ' A' ' 110' ' ' LEU . 9.8 tp -114.58 -35.16 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.02 -29.49 74.51 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -80.44 -10.93 59.74 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.71 0.804 . . . . 0.0 112.477 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD12 HG13 ' A' ' 16' ' ' VAL . 2.5 pp -138.19 -0.64 2.02 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -171.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.44 HD22 HD13 ' A' ' 106' ' ' ILE . 56.5 tp -163.67 138.81 6.25 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.228 1.011 . . . . 0.0 108.989 174.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -99.94 132.36 45.34 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.645 0.778 . . . . 0.0 111.088 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.435 HD12 HG12 ' A' ' 106' ' ' ILE . 21.8 mt -130.18 147.98 51.97 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.854 0.862 . . . . 0.0 111.117 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 22.7 m -81.11 -26.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.199 1.0 . . . . 0.0 109.828 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -82.91 -67.14 0.81 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.984 0.914 . . . . 0.0 110.666 -171.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.74 148.73 98.49 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 122.87 0.468 . . . . 0.0 110.359 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.66 165.26 26.05 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.433 2.089 . . . . 0.0 112.538 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -78.75 -176.65 5.04 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 123.229 0.612 . . . . 0.0 109.462 -178.712 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 mtt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 60.23 82.68 0.15 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.011 0.924 . . . . 0.0 109.856 -171.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.57 178.31 7.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.976 -172.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.6 mtmm -80.39 168.34 19.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.047 0.539 . . . . 0.0 111.39 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.482 ' HB3' HD12 ' A' ' 36' ' ' ILE . 15.8 m -60.59 -44.42 96.25 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.418 1.087 . . . . 0.0 111.694 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.39 -35.31 80.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpt -75.25 -28.45 59.86 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.523 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -75.76 -48.29 22.4 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.722 0.409 . . . . 0.0 109.963 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -60.37 -43.64 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.644 0.59 . . . . 0.0 110.414 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 45.1 t -59.68 -47.45 85.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.921 0.763 . . . . 0.0 110.246 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.08 -34.98 79.71 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.838 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.65 -40.35 88.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 109.689 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.512 HD11 HG23 ' A' ' 25' ' ' VAL . 83.8 mt -63.23 -33.66 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.667 177.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 10' ' ' SER . 17.8 mmt180 -71.06 -34.13 70.93 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.066 -0.396 . . . . 0.0 110.161 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 92.6 mtt180 -64.68 -43.03 94.84 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.681 0.613 . . . . 0.0 110.624 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG12 HD12 ' A' ' 109' ' ' LEU . 5.3 m -73.27 -39.85 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.878 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.52 -32.45 71.3 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.25 77.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.03 0.532 . . . . 0.0 111.068 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.19 -24.84 54.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.684 0.793 . . . . 0.0 111.457 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.8 -8.48 23.7 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 123.287 0.47 . . . . 0.0 113.332 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.75 -166.3 35.03 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.349 0.5 . . . . 0.0 113.381 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -128.24 158.23 38.71 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.348 1.059 . . . . 0.0 108.949 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.485 ' HB1' HG23 ' A' ' 16' ' ' VAL . . . -157.03 160.0 38.53 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.637 0.775 . . . . 0.0 110.367 173.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.5 125.78 1.05 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.4 1.063 . . . . 0.0 109.292 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.512 HG23 HD11 ' A' ' 13' ' ' ILE . 85.2 t -73.1 104.61 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.46 -66.38 0.56 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.958 0.503 . . . . 0.0 109.682 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -102.33 143.83 31.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.725 0.81 . . . . 0.0 110.438 -175.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -124.96 138.45 54.23 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.997 0.919 . . . . 0.0 109.622 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.6 -132.52 3.37 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.04 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.39 127.31 32.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.688 0.795 . . . . 0.0 111.386 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 52.0 mt-10 -63.67 -40.42 96.77 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.022 0.929 . . . . 0.0 112.683 -173.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.0 -50.73 4.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.57 0.748 . . . . 0.0 112.021 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.82 28.23 8.66 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 0.0 112.332 -168.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.58 140.05 19.29 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 116.686 -0.234 . . . . 0.0 112.631 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.58 152.92 44.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 171.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.482 HD12 ' HB3' ' A' ' 5' ' ' SER . 27.5 mm -124.79 113.92 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.6 m-85 -114.38 112.65 23.38 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.977 0.911 . . . . 0.0 109.877 176.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.17 130.73 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 108.963 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.25 121.64 45.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.015 0.926 . . . . 0.0 108.917 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.562 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 3.8 tp60 -92.21 115.49 28.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.729 1.211 . . . . 0.0 110.396 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.545 ' HD2' ' HG2' ' A' ' 102' ' ' GLU . 28.1 ttm180 -89.54 100.32 13.15 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.422 HD22 ' ND2' ' A' ' 48' ' ' ASN . 3.0 mm? -69.69 145.93 51.96 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -62.96 -15.44 55.89 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.53 -24.68 67.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.059 0.944 . . . . 0.0 111.842 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.16 1.74 56.95 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -169.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -91.78 170.71 9.68 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.95 0.9 . . . . 0.0 109.053 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 35.1 mt-10 -143.15 145.88 33.22 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.224 0.61 . . . . 0.0 110.973 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.562 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -107.96 170.72 7.82 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.406 1.083 . . . . 0.0 108.333 167.832 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -140.9 141.25 34.58 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.161 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 42.4 m-85 -129.58 147.6 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.098 0.959 . . . . 0.0 108.902 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.54 166.83 25.73 Favored Glycine 0 N--CA 1.46 0.259 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.36 118.76 5.87 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 122.488 2.125 . . . . 0.0 110.796 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 141.46 91.1 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.91 96.72 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.512 2.141 . . . . 0.0 110.917 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -65.21 154.64 37.47 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.989 -175.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 m -75.37 89.4 2.62 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -105.48 133.21 50.61 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.954 0.502 . . . . 0.0 110.755 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.8 125.49 53.63 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.275 1.03 . . . . 0.0 108.528 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.35 17.35 10.67 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.779 1.232 . . . . 0.0 111.783 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 59.84 21.8 10.71 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.103 0.961 . . . . 0.0 112.353 -176.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.46 -49.13 13.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.889 0.376 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.0 m-20 -59.8 -15.18 18.57 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -48.38 -43.54 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.55 1.14 . . . . 0.0 111.819 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.44 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -121.6 -10.22 8.83 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 111.11 178.261 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 18.7 mmm-85 -88.14 -5.53 58.38 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.605 0.762 . . . . 0.0 111.582 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.18 138.84 22.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.181 0.992 . . . . 0.0 109.787 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -80.53 119.91 23.82 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.313 0.645 . . . . 0.0 109.311 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -75.61 143.03 42.52 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.994 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.27 161.13 18.15 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.442 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 4.1 m-85 -100.2 174.71 6.02 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.242 0.617 . . . . 0.0 110.599 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -138.05 167.53 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.244 1.417 . . . . 0.0 108.346 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -102.54 102.05 12.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -63.59 -59.71 4.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.569 0.748 . . . . 0.0 109.973 177.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.1 mt -122.1 155.38 35.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.744 0.817 . . . . 0.0 109.475 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.94 121.41 9.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.561 0.345 . . . . 0.0 111.356 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.434 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 69.05 31.54 72.39 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 123.907 0.754 . . . . 0.0 113.503 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.01 -177.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.495 1.118 . . . . 0.0 109.795 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.0 pt-20 -93.94 167.34 11.67 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.605 0.362 . . . . 0.0 110.097 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -23.64 65.95 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 114.601 0.6 . . . . 0.0 114.601 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.25 -42.54 72.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.858 0.463 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 15.8 mm-40 -61.15 -38.03 84.98 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.982 0.513 . . . . 0.0 110.212 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.525 ' HA ' HD11 ' A' ' 49' ' ' LEU . 50.5 mm -60.38 -57.07 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.275 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -26.99 68.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.653 0.781 . . . . 0.0 111.719 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.42 71.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.651 0.781 . . . . 0.0 111.303 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.5 HD23 HD13 ' A' ' 49' ' ' LEU . 1.2 tt -81.29 -36.48 29.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.086 0.154 . . . . 0.0 110.771 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -60.11 -27.05 66.71 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.99 0.516 . . . . 0.0 109.964 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.82 -44.9 72.53 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.221 1.409 . . . . 0.0 110.29 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -66.48 -47.52 72.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.682 0.393 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.14 -37.59 78.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.576 0.751 . . . . 0.0 112.102 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -66.01 -28.59 68.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.305 0.378 . . . . 0.0 110.975 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -60.44 -35.18 75.21 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -94.0 -51.6 4.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.857 0.863 . . . . 0.0 110.279 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -120.47 94.03 4.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.909 1.283 . . . . 0.0 109.834 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.3 t -66.81 -15.7 63.77 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 121.231 0.539 . . . . 0.0 109.72 166.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.37 -6.55 36.26 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.074 1.35 . . . . 0.0 112.821 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.14 154.93 40.14 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.129 0.49 . . . . 0.0 111.317 -175.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -116.98 126.89 53.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.283 1.433 . . . . 0.0 108.297 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 57.8 t -100.45 118.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 173.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 HG22 HG21 ' A' ' 25' ' ' VAL . 18.3 t -111.98 118.92 58.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.461 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.44 127.84 34.53 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 171.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.462 HG23 ' HB1' ' A' ' 23' ' ' ALA . 47.5 pt -120.28 150.45 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.545 ' HG2' ' HD2' ' A' ' 41' ' ' ARG . 1.3 tm-20 -127.73 103.95 7.58 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.094 -1.446 . . . . 0.0 107.094 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.408 HG22 HD22 ' A' ' 109' ' ' LEU . 2.0 t -167.58 159.77 12.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.532 1.133 . . . . 0.0 108.871 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.19 -21.66 29.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.172 0.589 . . . . 0.0 110.8 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.82 142.32 48.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.561 0.744 . . . . 0.0 110.477 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.6 tp -101.9 -29.77 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.718 0.807 . . . . 0.0 110.827 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.0 31.36 2.29 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 115.012 0.765 . . . . 0.0 115.012 -170.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -137.47 -4.46 1.85 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.723 0.809 . . . . 0.0 110.147 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -143.92 1.74 1.15 Allowed 'General case' 0 C--N 1.363 1.168 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -162.86 142.39 9.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.016 0.927 . . . . 0.0 109.197 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 m -104.82 134.49 47.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.22 1.008 . . . . 0.0 110.746 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.17 156.73 44.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.365 1.066 . . . . 0.0 110.502 -173.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.0 -31.3 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.367 1.067 . . . . 0.0 109.951 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.8 -52.25 11.91 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 123.637 0.775 . . . . 0.0 110.193 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.75 143.25 97.98 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.539 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.01 111.81 1.1 Allowed 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.801 2.334 . . . . 0.0 111.558 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -69.36 99.98 1.29 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.956 0.902 . . . . 0.0 108.744 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.302 0 C-N-CA 124.972 1.309 . . . . 0.0 109.778 -168.452 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.642 0.258 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.447 ' HD2' ' HA ' ' A' ' 66' ' ' ALA . 21.6 mtm180 59.37 88.17 0.07 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.261 1.025 . . . . 0.0 110.203 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.77 168.24 11.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -174.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.3 ptpp? -72.08 171.92 11.05 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.432 ' HG ' ' N ' ' A' ' 34' ' ' GLY . 7.1 m -54.65 -49.13 71.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.292 0.637 . . . . 0.0 112.059 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.03 -55.37 35.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.528 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.462 ' HE3' ' HB3' ' A' ' 10' ' ' SER . 9.0 tpt -72.39 -24.07 61.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.69 -173.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -71.25 -46.03 61.92 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.68 -47.46 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.889 0.743 . . . . 0.0 109.947 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.462 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 34.4 t -59.34 -37.84 78.87 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.32 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.36 -36.76 63.6 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.319 0.648 . . . . 0.0 111.229 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.91 -38.51 86.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.888 1.275 . . . . 0.0 110.969 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.517 HG21 ' HB1' ' A' ' 23' ' ' ALA . 94.9 mt -65.54 -35.57 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.586 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -71.81 -32.66 67.82 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.509 0.324 . . . . 0.0 110.529 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 93.8 mtt180 -63.58 -42.95 98.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.367 0.667 . . . . 0.0 110.659 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.525 HG12 HD11 ' A' ' 109' ' ' LEU . 7.7 m -73.63 -43.54 54.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.05 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.93 -35.81 82.37 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.858 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.47 63.14 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.205 0.602 . . . . 0.0 111.634 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.24 -14.61 40.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.455 0.702 . . . . 0.0 111.73 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.04 25.09 7.66 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 122.772 0.225 . . . . 0.0 112.933 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.34 -179.27 16.32 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.798 0.713 . . . . 0.0 112.735 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 87.4 t80 -113.22 158.99 19.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.082 0.953 . . . . 0.0 109.54 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.517 ' HB1' HG21 ' A' ' 13' ' ' ILE . . . -161.48 158.39 26.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.194 0.598 . . . . 0.0 111.819 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.91 142.65 2.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.579 1.152 . . . . 0.0 109.28 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -90.94 107.3 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.69 -62.82 1.36 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.408 0.683 . . . . 0.0 111.093 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -109.19 148.15 31.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.003 0.521 . . . . 0.0 110.242 -175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.83 141.35 51.84 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.588 1.155 . . . . 0.0 109.499 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.99 -137.11 4.04 Favored Glycine 0 C--O 1.24 0.524 0 O-C-N 123.525 0.516 . . . . 0.0 111.874 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 127.5 32.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.079 0.551 . . . . 0.0 109.677 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.75 -29.84 62.46 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 123.1 0.56 . . . . 0.0 112.129 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.04 -58.22 2.64 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.128 0.571 . . . . 0.0 111.88 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.02 13.55 14.85 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -169.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' N ' ' HG ' ' A' ' 5' ' ' SER . . . -66.24 148.49 50.86 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 113.572 0.189 . . . . 0.0 113.572 178.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 162.08 29.93 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mm -135.77 107.45 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.541 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.9 m-85 -108.14 112.92 25.68 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.65 136.76 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.572 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.7 ptp180 -108.9 117.65 34.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.504 0.722 . . . . 0.0 109.088 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.439 ' HA ' HG13 ' A' ' 101' ' ' ILE . 41.0 tt0 -87.17 129.81 34.79 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 54.2 ttp180 -104.49 145.13 30.72 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.748 0.419 . . . . 0.0 110.542 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.69 146.96 42.4 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.51 1.124 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.48 -21.2 62.12 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.469 1.107 . . . . 0.0 111.583 169.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.65 -15.94 63.68 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.358 1.063 . . . . 0.0 111.48 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.32 -6.33 57.8 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.937 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -92.53 171.58 8.93 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.346 0.658 . . . . 0.0 111.31 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.502 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 31.5 mt-10 -149.32 164.62 34.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.785 1.234 . . . . 0.0 110.279 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 m-80 -128.52 157.65 40.59 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.955 1.302 . . . . 0.0 107.701 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -126.59 140.25 52.57 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.127 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -128.72 162.04 28.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 108.863 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.83 170.47 33.66 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-O 118.753 -1.026 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.65 117.32 4.52 Favored 'Trans proline' 0 C--N 1.364 1.376 0 CA-C-N 119.932 1.866 . . . . 0.0 110.581 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.89 158.96 73.09 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 123.356 0.662 . . . . 0.0 110.918 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.87 78.75 0.28 Allowed 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.493 2.129 . . . . 0.0 111.417 170.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -76.57 129.61 36.7 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.0 p -69.62 84.4 0.44 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.306 0.642 . . . . 0.0 110.412 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -84.21 137.68 33.37 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.051 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.69 75.9 8.16 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.004 0.922 . . . . 0.0 108.818 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.9 t70 61.66 57.5 2.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.379 1.072 . . . . 0.0 110.092 -174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.57 16.38 8.74 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.274 1.429 . . . . 0.0 114.184 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.1 -57.74 6.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.61 0.364 . . . . 0.0 110.279 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.68 -8.65 10.82 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -63.38 -36.24 75.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.319 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.7 mtm -121.46 -37.74 2.87 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.573 1.149 . . . . 0.0 111.145 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -83.2 -11.07 58.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.825 1.25 . . . . 0.0 110.493 -173.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' HA ' ' HD2' ' A' ' 2' ' ' ARG . . . -132.88 156.97 46.22 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 125.2 1.4 . . . . 0.0 107.458 167.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -81.29 114.48 20.11 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -59.6 132.06 52.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.151 0.98 . . . . 0.0 110.393 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -101.96 148.9 24.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -100.44 168.66 9.6 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.213 0.605 . . . . 0.0 110.983 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.15 167.51 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.438 1.495 . . . . 0.0 107.812 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.5 m -103.87 104.47 14.47 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 15.3 mmt180 -66.17 -59.4 3.8 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.785 0.834 . . . . 0.0 110.008 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.27 159.88 30.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.237 1.015 . . . . 0.0 109.253 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.67 133.12 11.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.01 29.54 72.92 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 123.732 0.645 . . . . 0.0 113.752 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -178.34 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.621 1.169 . . . . 0.0 109.331 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.14 167.07 12.62 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.774 -0.579 . . . . 0.0 110.131 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.63 70.89 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.822 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -57.78 -46.27 84.82 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.741 0.816 . . . . 0.0 110.467 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.643 0.777 . . . . 0.0 111.124 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.588 HG23 ' HG ' ' A' ' 49' ' ' LEU . 39.8 mm -62.88 -56.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.94 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -23.68 64.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.579 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.88 87.35 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.562 0.745 . . . . 0.0 111.247 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tp -81.28 -39.91 24.52 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.188 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 HD23 HD23 ' A' ' 49' ' ' LEU . 96.4 mt -57.89 -28.31 64.09 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.015 0.526 . . . . 0.0 111.462 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HA ' ' NH1' ' A' ' 90' ' ' ARG . 14.5 tp10 -61.46 -45.83 92.62 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.743 1.617 . . . . 0.0 110.951 169.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 73.6 mtp180 -73.81 -50.8 18.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.002 0.921 . . . . 0.0 111.334 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.47 -37.76 88.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.752 1.221 . . . . 0.0 112.09 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 87' ' ' GLU . 11.4 ptt-85 -65.19 -28.91 69.72 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.704 0.627 . . . . 0.0 111.533 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 69.3 ttt180 -66.19 -44.48 83.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.984 0.514 . . . . 0.0 110.621 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.43 -38.93 74.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.713 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -161.09 102.96 1.27 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.909 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 t -77.47 -3.35 40.02 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.261 1.025 . . . . 0.0 112.665 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -83.43 17.96 1.98 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.05 150.36 30.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.06 0.457 . . . . 0.0 110.243 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -107.32 125.39 51.12 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.541 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.02 117.18 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.19 118.33 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.572 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 7.1 pt-20 -85.68 105.31 16.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 172.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 HG13 ' HA ' ' A' ' 40' ' ' GLN . 32.9 pt -108.14 150.1 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.427 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 33.5 tt0 -124.16 121.46 35.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.457 ' HG1' HD23 ' A' ' 109' ' ' LEU . 8.9 t -169.93 166.41 9.39 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -102.28 -39.4 7.23 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.97 114.5 27.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.225 0.61 . . . . 0.0 109.907 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.463 HG12 HD12 ' A' ' 112' ' ' LEU . 10.1 tp -91.22 -37.21 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.169 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.77 -15.62 64.73 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -170.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.1 t -86.67 -25.02 25.04 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.779 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.525 HD11 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -122.84 -12.03 8.08 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.4 tp -153.4 130.28 10.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.017 0.927 . . . . 0.0 108.632 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 m -90.61 132.38 35.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.685 0.394 . . . . 0.0 111.303 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.463 HD12 HG12 ' A' ' 106' ' ' ILE . 28.8 mt -126.83 143.56 51.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.938 0.895 . . . . 0.0 110.647 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.71 -23.33 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.281 1.032 . . . . 0.0 110.227 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.28 -59.61 1.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.333 0.653 . . . . 0.0 111.439 -171.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -70.78 164.35 56.47 Favored Pre-proline 0 N--CA 1.485 1.315 0 C-N-CA 123.653 0.781 . . . . 0.0 111.417 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -40.14 138.62 1.15 Allowed 'Trans proline' 0 C--N 1.398 3.178 0 C-N-CA 124.128 3.218 . . . . 0.0 114.514 175.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -62.68 -55.87 22.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.876 1.27 . . . . 0.0 110.637 -172.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-N 114.318 -1.31 . . . . 0.0 107.959 -177.052 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' SD ' HD21 ' A' ' 3' ' ' LEU . 15.9 ptp . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.276 0.56 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -83.74 100.37 10.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.756 0.823 . . . . 0.0 109.328 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.521 HD21 ' SD ' ' A' ' 1' ' ' MET . 0.4 OUTLIER -151.02 174.65 12.91 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.8 0.84 . . . . 0.0 111.067 -176.291 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.9 ptpp? -75.71 171.77 13.77 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.846 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.533 ' HB3' HD12 ' A' ' 36' ' ' ILE . 16.2 m -62.55 -44.5 96.18 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.371 1.068 . . . . 0.0 111.705 -175.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.54 -49.39 77.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.562 1.145 . . . . 0.0 111.351 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.496 ' HG3' HD23 ' A' ' 3' ' ' LEU . 8.8 tpt -71.7 -23.84 61.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.457 -174.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -72.12 -44.22 63.52 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.55 -49.51 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.774 0.671 . . . . 0.0 109.926 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.44 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.1 t -53.15 -49.95 65.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.094 0.871 . . . . 0.0 110.221 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -61.27 -37.22 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.12 -40.59 90.8 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.988 0.915 . . . . 0.0 110.44 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.34 -47.19 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.3 mpt_? -65.22 -34.28 77.99 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.147 0.579 . . . . 0.0 110.834 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.453 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 52.6 mtt180 -61.23 -45.3 95.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.545 0.738 . . . . 0.0 111.211 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.548 HG13 HD11 ' A' ' 109' ' ' LEU . 4.9 m -73.02 -36.22 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -69.6 -28.57 66.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.968 0.507 . . . . 0.0 110.905 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.81 69.37 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.218 0.607 . . . . 0.0 110.619 172.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.02 31.05 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.715 0.806 . . . . 0.0 111.156 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.03 -17.39 9.94 Favored Glycine 0 C--N 1.35 1.314 0 C-N-CA 123.359 0.504 . . . . 0.0 113.372 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.07 -175.49 42.36 Favored Glycine 0 C--N 1.348 1.249 0 C-N-CA 123.603 0.621 . . . . 0.0 113.93 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -118.32 154.54 32.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.144 0.978 . . . . 0.0 109.093 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HB1' HG21 ' A' ' 101' ' ' ILE . . . -157.96 164.73 36.54 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.495 0.718 . . . . 0.0 110.866 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 143.38 1.89 Allowed 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.038 0.836 . . . . 0.0 110.324 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.13 105.82 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 122.938 0.495 . . . . 0.0 109.862 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -76.56 -65.43 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.398 0.679 . . . . 0.0 111.085 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 63.8 tttp -102.28 145.93 28.74 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.363 0.665 . . . . 0.0 109.24 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -132.24 126.77 34.26 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.835 0.854 . . . . 0.0 109.705 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.05 -131.42 3.64 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.466 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.87 130.39 35.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.404 0.681 . . . . 0.0 110.62 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.32 -40.96 70.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.089 0.555 . . . . 0.0 112.311 -171.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.419 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -95.03 -53.3 3.87 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.3 0.64 . . . . 0.0 111.119 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.88 -8.09 59.28 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.977 0.911 . . . . 0.0 113.396 -168.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.02 155.71 48.18 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.54 18.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.845 0.858 . . . . 0.0 108.984 171.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.533 HD12 ' HB3' ' A' ' 5' ' ' SER . 38.3 mm -125.89 124.81 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' HE2' ' HE ' ' A' ' 73' ' ' ARG . 77.4 m-85 -127.13 113.83 16.91 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.471 1.108 . . . . 0.0 108.974 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.63 132.42 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.629 0.772 . . . . 0.0 109.106 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -105.69 146.39 29.83 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.557 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.2 tp60 -128.84 146.68 50.86 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.586 1.155 . . . . 0.0 109.677 -169.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -125.64 120.75 31.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.015 0.526 . . . . 0.0 109.689 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.54 152.52 21.06 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.75 0.82 . . . . 0.0 111.047 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.632 HH11 ' HB3' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -51.59 -26.96 9.74 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.062 1.345 . . . . 0.0 113.421 170.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.95 -13.45 62.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.279 1.032 . . . . 0.0 112.304 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.44 68.47 Favored Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -171.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -108.82 163.69 13.05 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.833 0.853 . . . . 0.0 109.341 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.14 148.27 41.41 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.896 0.878 . . . . 0.0 109.634 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -120.06 168.82 10.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.747 0.819 . . . . 0.0 110.419 178.247 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -141.91 141.99 33.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 48.8 m-85 -126.81 155.25 43.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.092 0.957 . . . . 0.0 109.362 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.08 168.45 29.49 Favored Glycine 0 N--CA 1.463 0.459 0 CA-C-O 119.132 -0.816 . . . . 0.0 111.744 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.59 112.22 3.17 Favored 'Trans proline' 0 C--N 1.365 1.421 0 C-N-CA 122.18 1.92 . . . . 0.0 110.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.15 139.61 90.22 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.804 0.442 . . . . 0.0 110.913 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.13 88.62 1.39 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.922 2.415 . . . . 0.0 111.887 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -69.57 158.87 34.44 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.934 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.8 m -85.57 64.76 8.81 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.625 0.726 . . . . 0.0 109.638 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -74.43 149.69 40.3 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.128 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.22 129.7 51.24 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.763 0.825 . . . . 0.0 109.247 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 63.95 19.02 11.56 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.9 1.28 . . . . 0.0 112.252 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 64.87 13.96 8.9 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.446 1.098 . . . . 0.0 111.097 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -71.66 -61.66 1.7 Allowed 'General case' 0 C--N 1.346 0.448 0 C-N-CA 123.327 0.651 . . . . 0.0 109.985 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.01 -15.94 10.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.501 1.121 . . . . 0.0 113.393 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mm -47.64 -44.32 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.078 1.351 . . . . 0.0 111.583 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.462 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -131.12 -20.78 2.7 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.049 0.94 . . . . 0.0 111.204 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 54.9 mmm-85 -75.22 -2.08 26.3 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.309 0.643 . . . . 0.0 111.101 174.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.71 149.06 41.7 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.532 1.133 . . . . 0.0 108.449 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.06 97.56 0.51 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -54.74 119.35 5.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.154 0.982 . . . . 0.0 110.567 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -83.73 157.45 22.14 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -99.61 173.82 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 110.399 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.64 168.04 19.0 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 125.076 1.35 . . . . 0.0 107.776 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -100.18 106.09 17.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.515 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.3 mmt180 -63.47 -57.56 9.83 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.852 0.861 . . . . 0.0 110.145 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.9 mt -126.01 151.92 46.44 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.432 0.693 . . . . 0.0 109.73 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.58 138.34 15.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.111 0.564 . . . . 0.0 110.56 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.74 25.91 72.99 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.847 0.717 . . . . 0.0 113.279 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.69 -169.95 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.833 0.853 . . . . 0.0 109.661 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.0 pt-20 -111.47 170.81 7.87 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.24 0.616 . . . . 0.0 110.428 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.06 -22.35 66.76 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 123.74 0.65 . . . . 0.0 113.979 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.63 -39.66 84.66 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.972 0.509 . . . . 0.0 109.981 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.484 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 9.5 mm-40 -69.44 -37.72 77.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.31 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.467 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.3 mm -58.85 -56.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.988 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.62 69.4 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.26 0.624 . . . . 0.0 111.597 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.12 99.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.112 0.565 . . . . 0.0 111.193 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD23 HD11 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -80.9 -35.78 32.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.335 -179.291 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.6 -30.04 64.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.788 0.435 . . . . 0.0 110.783 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.48 -44.3 71.44 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.051 1.34 . . . . 0.0 110.395 172.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.35 -41.4 80.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.366 0.667 . . . . 0.0 111.715 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.45 -37.16 57.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.605 0.762 . . . . 0.0 111.042 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -64.32 -28.6 69.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 123.422 0.451 . . . . 0.0 111.5 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.56 -35.92 79.14 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.365 0.666 . . . . 0.0 110.478 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -92.75 -30.49 15.49 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.511 0.724 . . . . 0.0 111.301 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -144.38 80.54 1.64 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.587 1.155 . . . . 0.0 109.062 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -69.15 -15.99 63.54 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.199 0.6 . . . . 0.0 110.819 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.47 17.47 4.51 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.29 1.036 . . . . 0.0 111.781 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.64 161.28 27.92 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 109.903 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -117.04 128.81 55.53 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.45 1.1 . . . . 0.0 108.689 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.1 t -99.54 128.28 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.67 125.05 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.7 134.55 33.96 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 HG21 ' HB1' ' A' ' 23' ' ' ALA . 47.8 pt -132.4 126.0 54.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.98 99.68 8.75 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.469 ' HG1' HD21 ' A' ' 109' ' ' LEU . 3.2 t -162.24 154.09 18.74 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.107 -175.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.632 ' HB3' HH11 ' A' ' 43' ' ' ARG . 35.9 m-20 -98.94 3.75 47.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.924 0.489 . . . . 0.0 111.465 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -145.2 137.99 26.2 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.549 0.739 . . . . 0.0 109.396 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 HD13 HD21 ' A' ' 110' ' ' LEU . 7.3 tp -105.65 -40.86 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.405 0.682 . . . . 0.0 111.613 -172.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.59 70.13 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.397 0.436 . . . . 0.0 114.161 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -75.8 -21.59 57.19 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.041 0.936 . . . . 0.0 112.269 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 16' ' ' VAL . 1.8 pp -128.88 1.73 5.36 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.737 0.815 . . . . 0.0 112.796 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD21 HD13 ' A' ' 106' ' ' ILE . 57.3 tp -168.38 123.99 0.98 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.392 1.077 . . . . 0.0 108.836 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.5 m -90.67 136.56 32.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.274 0.63 . . . . 0.0 111.156 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD13 HG12 ' A' ' 106' ' ' ILE . 21.5 mt -127.01 149.05 50.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.512 1.125 . . . . 0.0 110.362 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.8 m -81.12 -25.66 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.839 0.856 . . . . 0.0 111.154 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -99.06 -58.82 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.836 0.855 . . . . 0.0 111.386 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -73.83 153.93 89.11 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 122.892 0.477 . . . . 0.0 110.549 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.06 149.07 86.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.494 2.13 . . . . 0.0 112.172 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -78.62 -4.05 46.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.573 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.439 0 C-N-CA 123.85 0.86 . . . . 0.0 109.135 173.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.1 mtp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -74.01 90.79 2.0 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.586 0.708 . . . . 0.0 109.926 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.93 -175.16 3.88 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.671 1.189 . . . . 0.0 109.326 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 99.3 mttt -74.54 164.59 26.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.975 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 36' ' ' ILE . 12.5 m -60.97 -35.06 75.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.967 0.907 . . . . 0.0 110.785 173.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.65 -55.6 16.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.724 1.21 . . . . 0.0 110.158 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.485 ' HE3' ' HB3' ' A' ' 10' ' ' SER . 6.6 tpt -65.07 -26.4 68.22 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.651 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.88 -52.5 56.21 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.748 0.419 . . . . 0.0 110.503 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 ' O ' HD11 ' A' ' 13' ' ' ILE . 47.1 t -67.52 -39.96 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.974 0.796 . . . . 0.0 110.535 -176.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.485 ' HB3' ' HE3' ' A' ' 7' ' ' MET . 29.1 t -58.09 -39.51 78.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.181 0.592 . . . . 0.0 110.48 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.2 61.74 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.379 0.672 . . . . 0.0 111.44 175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tt -64.37 -44.68 90.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.273 1.029 . . . . 0.0 110.308 -176.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.534 HG22 ' HE ' ' A' ' 14' ' ' ARG . 1.5 mp -56.54 -41.9 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' HE ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -65.61 -36.12 82.8 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.311 0.644 . . . . 0.0 111.801 177.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -63.19 -46.88 84.99 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 -178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.529 HG13 HD11 ' A' ' 109' ' ' LEU . 6.3 m -71.41 -39.8 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -175.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.64 -31.25 71.13 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.375 0.67 . . . . 0.0 110.652 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.38 62.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.151 0.58 . . . . 0.0 110.807 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.84 -2.32 58.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.691 0.796 . . . . 0.0 111.826 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.34 26.78 27.13 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.03 0.206 . . . . 0.0 113.34 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.42 -163.94 13.13 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.366 0.507 . . . . 0.0 112.501 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -129.7 156.02 44.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.48 1.112 . . . . 0.0 109.737 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' HB1' HG23 ' A' ' 16' ' ' VAL . . . -162.27 158.7 24.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.831 0.852 . . . . 0.0 110.903 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.76 2.37 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 t -78.49 102.74 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.754 0.821 . . . . 0.0 109.43 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -79.09 -41.27 29.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.505 0.722 . . . . 0.0 111.801 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -128.24 144.22 51.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.251 0.62 . . . . 0.0 109.464 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 84.7 tttt -129.51 120.9 26.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.21 1.004 . . . . 0.0 109.741 -176.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 -142.31 8.89 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.216 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 130.65 44.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.52 0.728 . . . . 0.0 111.178 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 43.5 mt-10 -65.25 -46.15 81.71 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.678 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.14 -42.1 8.76 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.894 0.477 . . . . 0.0 111.596 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.91 21.43 17.41 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.421 0.688 . . . . 0.0 112.849 -167.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.0 145.34 17.74 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 114.092 0.397 . . . . 0.0 114.092 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 159.18 32.43 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' A' ' 5' ' ' SER . 20.8 mm -133.94 121.43 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.51 113.93 18.1 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.404 1.082 . . . . 0.0 108.885 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.1 t -113.13 149.54 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.294 1.038 . . . . 0.0 109.206 -175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 11.2 ptp180 -122.58 120.9 35.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -87.5 121.17 29.59 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 36.2 ttm180 -94.6 129.34 41.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.8 mm? -97.93 167.14 11.1 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.989 0.916 . . . . 0.0 110.605 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.62 -21.12 66.2 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.871 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -23.75 62.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.116 1.367 . . . . 0.0 112.084 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 -3.67 62.53 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.1 170.37 10.08 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.708 0.803 . . . . 0.0 110.638 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.458 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.5 mt-10 -144.01 161.21 39.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.751 0.821 . . . . 0.0 111.371 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.494 ' ND2' HD22 ' A' ' 42' ' ' LEU . 29.7 m-80 -111.98 170.9 7.83 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 108.624 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD11 HG22 ' A' ' 82' ' ' ILE . 17.6 tp -135.85 142.89 44.85 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.67 157.81 42.75 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.594 1.157 . . . . 0.0 108.328 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.53 175.69 30.27 Favored Glycine 0 N--CA 1.465 0.616 0 CA-C-O 118.611 -1.105 . . . . 0.0 110.482 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 120.36 6.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 CA-C-N 120.206 2.003 . . . . 0.0 110.379 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.22 146.62 98.91 Favored Pre-proline 0 C--O 1.244 0.812 0 CA-C-O 119.095 -0.478 . . . . 0.0 109.734 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.34 86.72 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.297 1.998 . . . . 0.0 110.481 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.61 104.08 0.39 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.651 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.8 p -69.94 83.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.846 0.831 . . . . 0.0 110.083 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.86 146.52 51.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.206 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.25 110.46 22.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t70 66.85 26.42 9.32 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.059 0.944 . . . . 0.0 111.815 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 62.97 19.73 11.81 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.481 1.113 . . . . 0.0 112.281 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -66.64 -57.27 7.54 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 122.918 0.487 . . . . 0.0 110.1 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -17.77 9.04 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.834 1.254 . . . . 0.0 114.155 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.9 mm -56.97 -36.12 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.361 1.064 . . . . 0.0 110.886 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -141.65 -5.64 1.04 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.185 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -106.94 -0.72 22.94 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.404 1.081 . . . . 0.0 110.712 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.58 150.26 35.16 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.6 0.76 . . . . 0.0 109.681 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.44 136.67 51.87 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 123.919 0.888 . . . . 0.0 109.099 169.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 133.18 38.27 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -95.06 157.85 15.71 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.527 ' HB2' HD22 ' A' ' 112' ' ' LEU . 3.9 m-85 -100.9 166.38 10.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.614 0.366 . . . . 0.0 111.152 -173.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -121.97 144.45 48.87 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.654 1.181 . . . . 0.0 108.822 176.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -87.6 109.64 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -77.03 -67.0 0.75 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.366 0.666 . . . . 0.0 109.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -114.56 160.31 19.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.733 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.55 129.45 9.44 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.077 0.551 . . . . 0.0 110.391 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.04 27.2 73.75 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 123.931 0.769 . . . . 0.0 113.731 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -102.46 -171.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.209 1.004 . . . . 0.0 110.42 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.6 pt-20 -103.6 168.29 9.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.501 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.32 -23.62 64.62 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.86 0.725 . . . . 0.0 114.027 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.22 -39.56 75.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 122.91 0.484 . . . . 0.0 110.539 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.54 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 49.9 mm-40 -65.15 -36.06 83.04 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.953 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.503 HG22 HD11 ' A' ' 49' ' ' LEU . 44.5 mm -62.9 -56.0 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.708 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.92 69.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.86 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.99 84.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.141 0.976 . . . . 0.0 112.468 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -82.78 -41.96 18.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.463 0.173 . . . . 0.0 111.091 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 49' ' ' LEU . 83.4 mt -59.98 -28.57 67.79 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.37 -34.57 74.75 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.701 0.626 . . . . 0.0 110.72 174.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -77.06 -34.41 57.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.45 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -74.6 -41.33 60.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.552 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -72.05 -28.07 63.1 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.663 0.602 . . . . 0.0 111.328 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -55.05 -49.42 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.249 1.02 . . . . 0.0 110.159 174.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -79.39 -48.2 14.42 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.578 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -142.33 99.26 3.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.599 1.16 . . . . 0.0 108.98 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -77.27 -2.57 35.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.324 0.65 . . . . 0.0 111.141 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.74 10.53 3.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.473 0.709 . . . . 0.0 112.179 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -77.87 161.83 27.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.577 0.703 . . . . 0.0 109.618 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 19.3 m95 -111.5 135.95 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.06 124.27 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.94 129.17 72.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 10.8 pt-20 -98.09 126.52 43.57 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 169.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 35.1 pt -122.87 141.35 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -119.48 108.86 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.439 ' HG1' HD21 ' A' ' 109' ' ' LEU . 6.7 t -161.34 154.22 20.81 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.141 0.496 . . . . 0.0 110.776 -173.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -74.6 -41.36 60.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.844 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.18 161.62 27.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.289 0.635 . . . . 0.0 110.448 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.0 tp -108.72 -24.77 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 123.393 0.677 . . . . 0.0 111.007 -177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.96 76.51 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.921 0.728 . . . . 0.0 114.921 -165.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -83.92 -25.03 30.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.072 0.549 . . . . 0.0 112.296 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.529 HD11 HG13 ' A' ' 16' ' ' VAL . 1.9 pp -121.54 1.26 10.07 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -165.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -161.4 148.96 15.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -112.43 131.82 55.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.048 0.539 . . . . 0.0 110.556 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.527 HD22 ' HB2' ' A' ' 70' ' ' PHE . 14.1 mt -128.11 167.38 16.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.182 0.993 . . . . 0.0 110.606 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m -98.69 -11.07 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.039 0.936 . . . . 0.0 110.666 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -109.69 -60.47 1.78 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.006 0.522 . . . . 0.0 111.796 -170.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -62.71 155.32 70.66 Favored Pre-proline 0 N--CA 1.486 1.348 0 C-N-CA 123.358 0.663 . . . . 0.0 112.24 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -48.04 125.44 11.69 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.717 2.945 . . . . 0.0 112.815 167.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.471 ' NE2' ' HB2' ' A' ' 112' ' ' LEU . 86.3 mm-40 -116.3 171.25 7.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.1 0.96 . . . . 0.0 110.619 -177.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 C-N-CA 123.361 0.664 . . . . 0.0 110.79 -178.035 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mmm . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.297 0.094 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.466 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 40.1 mtm180 61.51 88.27 0.09 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.412 1.085 . . . . 0.0 110.626 -172.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.401 HD23 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 164.86 28.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.134 -178.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.566 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 17.2 ptpt -72.33 166.99 21.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 122.434 0.293 . . . . 0.0 110.309 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.541 ' HB3' HD12 ' A' ' 36' ' ' ILE . 19.2 m -62.71 -35.98 81.49 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.868 0.867 . . . . 0.0 112.031 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.643 0.777 . . . . 0.0 110.971 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' HD23 ' A' ' 3' ' ' LEU . 10.6 tpt -76.84 -23.91 52.7 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -71.73 -45.66 61.07 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.61 -39.06 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.72 0.638 . . . . 0.0 111.082 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 m -58.89 -47.38 85.17 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.707 0.63 . . . . 0.0 109.99 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.32 -38.6 81.74 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.385 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.72 -42.34 92.86 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.43 1.092 . . . . 0.0 109.974 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.47 HD13 HG23 ' A' ' 25' ' ' VAL . 89.1 mt -61.6 -45.33 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.533 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -69.18 -24.84 64.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.253 -0.279 . . . . 0.0 110.987 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.1 mtp180 -67.44 -44.87 77.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.06 0.544 . . . . 0.0 110.973 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.533 HG13 HD12 ' A' ' 109' ' ' LEU . 4.9 m -71.72 -36.22 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.573 -177.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.409 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 43.8 m-85 -70.03 -27.26 64.52 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.376 0.671 . . . . 0.0 110.65 176.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.99 74.89 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.782 0.433 . . . . 0.0 110.675 169.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.64 -22.76 40.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.271 0.628 . . . . 0.0 111.581 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.17 -0.93 37.91 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 120.08 -0.289 . . . . 0.0 113.177 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.57 -164.14 28.05 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 122.971 0.32 . . . . 0.0 113.622 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.509 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.1 t80 -126.76 157.64 38.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.561 1.144 . . . . 0.0 109.265 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' HG21 ' A' ' 16' ' ' VAL . . . -161.4 154.67 21.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.526 0.73 . . . . 0.0 110.581 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.7 130.69 2.41 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.139 0.899 . . . . 0.0 110.4 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG23 HD13 ' A' ' 13' ' ' ILE . 98.1 t -76.21 109.11 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.056 0.542 . . . . 0.0 109.732 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -77.01 -73.3 0.3 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.462 0.705 . . . . 0.0 110.06 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.05 146.68 23.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 122.699 0.4 . . . . 0.0 110.086 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.418 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 56.8 tttm -125.05 146.03 49.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.79 0.836 . . . . 0.0 109.706 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.11 -128.59 2.57 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.971 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.13 148.38 28.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.506 0.722 . . . . 0.0 112.008 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.566 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 42.1 mt-10 -65.53 -62.51 1.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.505 0.722 . . . . 0.0 112.501 -176.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.85 -44.17 7.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.987 0.515 . . . . 0.0 111.334 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.68 4.34 44.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.736 0.814 . . . . 0.0 112.495 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.91 134.78 22.26 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 123.392 0.433 . . . . 0.0 112.941 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.72 157.38 37.63 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 167.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.541 HD12 ' HB3' ' A' ' 5' ' ' SER . 34.2 mm -136.09 115.8 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 -177.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 67.9 m-85 -121.24 112.3 18.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.838 0.855 . . . . 0.0 109.689 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 HG21 ' HB ' ' A' ' 99' ' ' VAL . 94.0 t -110.22 134.87 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.471 1.109 . . . . 0.0 109.147 -174.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.522 HH11 ' HB3' ' A' ' 100' ' ' GLU . 11.3 ptp85 -106.79 135.96 47.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.1 tt0 -101.03 128.11 47.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -95.23 104.94 16.84 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.65 142.31 35.68 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -60.65 -13.23 13.33 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.181 0.992 . . . . 0.0 112.707 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.27 -14.58 63.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.687 0.795 . . . . 0.0 112.358 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.76 16.89 59.15 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -116.28 170.42 8.54 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.151 0.98 . . . . 0.0 109.524 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 50.5 mt-10 -143.02 142.27 31.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.525 0.73 . . . . 0.0 110.455 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -102.62 172.32 6.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.022 0.929 . . . . 0.0 109.169 170.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.536 HD13 ' HA ' ' A' ' 82' ' ' ILE . 0.8 OUTLIER -142.96 140.44 31.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 36.0 m-85 -130.3 146.46 51.9 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.395 1.078 . . . . 0.0 108.89 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 169.59 27.38 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-O 118.937 -0.924 . . . . 0.0 111.303 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.91 126.95 18.33 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.5 2.134 . . . . 0.0 111.426 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.65 161.54 31.82 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 124.081 0.952 . . . . 0.0 111.259 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.5 104.67 0.15 Allowed 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.758 2.306 . . . . 0.0 111.282 164.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.42 120.8 13.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.6 m -76.58 86.24 3.26 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.22 0.608 . . . . 0.0 109.76 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.462 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 36.2 p90 -86.42 148.45 25.56 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.974 -176.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.01 108.89 20.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.443 1.097 . . . . 0.0 108.051 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.93 23.68 13.41 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.606 1.162 . . . . 0.0 112.018 176.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 63.74 18.07 10.88 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.238 1.015 . . . . 0.0 112.763 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.08 -46.09 30.82 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.462 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.2 m-20 -63.17 -12.81 30.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.6 mm -55.34 -33.91 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 CA-C-O 121.785 0.802 . . . . 0.0 110.308 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -126.32 -17.43 5.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.649 1.58 . . . . 0.0 110.735 -176.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -98.95 6.81 46.54 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.944 0.898 . . . . 0.0 111.561 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.23 159.1 44.68 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.254 1.022 . . . . 0.0 108.949 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -87.38 156.83 19.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.278 0.631 . . . . 0.0 109.896 175.527 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -69.9 117.03 10.96 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.312 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -84.45 154.26 22.86 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -100.58 174.41 6.09 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.864 0.466 . . . . 0.0 110.731 -171.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.57 168.49 19.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.313 1.445 . . . . 0.0 107.987 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.7 m -95.92 107.96 20.29 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -66.77 -61.6 1.88 Allowed 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -122.94 154.72 38.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.785 0.834 . . . . 0.0 109.411 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.94 117.44 8.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.465 0.306 . . . . 0.0 111.539 -174.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 66.77 31.84 79.5 Favored Glycine 0 C--N 1.349 1.276 0 O-C-N 123.719 0.637 . . . . 0.0 113.131 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.78 -167.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 0.0 109.577 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -106.1 170.55 7.85 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.68 -24.2 67.82 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.848 -0.614 . . . . 0.0 114.477 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.48 -46.37 89.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.697 0.799 . . . . 0.0 110.509 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.42 -39.26 78.0 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.089 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.536 ' HA ' HD13 ' A' ' 49' ' ' LEU . 48.4 mm -58.45 -53.22 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.881 0.738 . . . . 0.0 109.892 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -28.07 67.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.436 0.694 . . . . 0.0 111.925 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.2 88.73 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.114 0.566 . . . . 0.0 111.233 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.527 HD21 HD12 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -80.99 -40.6 24.07 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.885 177.119 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.76 -28.1 63.64 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.667 0.387 . . . . 0.0 110.401 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.09 -45.81 79.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.102 1.361 . . . . 0.0 110.561 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.411 ' NH1' HD13 ' A' ' 85' ' ' LEU . 66.3 mtp180 -66.68 -48.08 70.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.254 0.622 . . . . 0.0 110.429 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.07 -36.49 74.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.288 0.635 . . . . 0.0 111.283 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -69.27 -29.95 67.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 123.402 0.439 . . . . 0.0 111.21 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -42.43 99.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.994 0.918 . . . . 0.0 109.64 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -75.58 -54.97 6.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.466 0.706 . . . . 0.0 110.03 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.58 102.81 5.04 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.876 0.87 . . . . 0.0 110.52 -171.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -77.87 -3.28 40.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.301 0.64 . . . . 0.0 111.605 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.09 9.04 4.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.176 0.59 . . . . 0.0 112.201 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.5 pt? -74.98 147.9 40.42 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.246 0.546 . . . . 0.0 110.549 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.418 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 14.6 m95 -106.21 127.2 53.05 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 91.0 t -102.02 116.21 45.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.403 ' HB ' HG21 ' A' ' 38' ' ' VAL . 51.6 t -116.28 121.51 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.522 ' HB3' HH11 ' A' ' 39' ' ' ARG . 10.2 pt-20 -91.59 109.67 20.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.5 139.82 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 32.6 tt0 -118.32 109.16 15.97 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.5 ' HG1' HD21 ' A' ' 109' ' ' LEU . 4.1 t -159.81 162.75 34.83 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.367 0.603 . . . . 0.0 110.916 -174.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.04 -41.6 28.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 110.118 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.56 163.46 27.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.189 0.996 . . . . 0.0 110.349 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.485 HG12 HD13 ' A' ' 112' ' ' LEU . 9.3 tp -117.33 -41.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -170.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.28 74.46 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 123.237 0.336 . . . . 0.0 113.837 -168.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.8 t -70.7 -27.99 64.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.624 0.769 . . . . 0.0 112.276 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD12 HG13 ' A' ' 16' ' ' VAL . 2.1 pp -122.98 2.31 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.587 0.755 . . . . 0.0 112.819 -171.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.4 HD23 HD11 ' A' ' 106' ' ' ILE . 62.5 tp -170.92 126.67 0.71 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.961 0.905 . . . . 0.0 109.186 175.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -86.68 136.05 33.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.428 . . . . 0.0 111.358 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.485 HD13 HG12 ' A' ' 106' ' ' ILE . 27.4 mt -128.46 139.7 52.21 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.735 1.214 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.64 -24.42 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 123.649 0.779 . . . . 0.0 110.592 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.56 -58.78 2.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.509 0.723 . . . . 0.0 111.188 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.16 154.71 88.41 Favored Pre-proline 0 N--CA 1.479 1.007 0 C-N-CA 122.677 0.391 . . . . 0.0 111.009 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.9 123.78 14.67 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 123.014 2.476 . . . . 0.0 112.109 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -82.8 -52.43 6.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.997 0.919 . . . . 0.0 109.51 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.258 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.725 -178.494 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' SD ' HD23 ' A' ' 3' ' ' LEU . 45.2 ttm . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 94.21 2.29 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.164 0.986 . . . . 0.0 108.753 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.453 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -141.86 -176.24 4.7 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.052 0.941 . . . . 0.0 111.255 -176.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.01 157.97 32.14 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.511 ' HB3' HD11 ' A' ' 36' ' ' ILE . 23.9 m -62.66 -35.69 80.45 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.2 1.0 . . . . 0.0 110.795 174.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -65.6 -46.9 77.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.594 1.157 . . . . 0.0 110.386 173.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.412 ' HA ' ' HE2' ' A' ' 7' ' ' MET . 5.7 tpt -68.62 -22.49 64.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.378 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -75.91 -47.54 24.87 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.089 0.556 . . . . 0.0 109.836 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.87 -37.41 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 123.425 0.453 . . . . 0.0 111.345 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -58.42 -44.05 88.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.953 0.783 . . . . 0.0 110.287 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.26 -37.16 71.94 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.458 177.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.7 tt -63.31 -42.27 99.01 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.542 1.137 . . . . 0.0 110.433 -173.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' O ' HG23 ' A' ' 16' ' ' VAL . 69.2 mt -57.89 -45.3 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.842 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.88 -24.02 60.8 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 119.215 -0.421 . . . . 0.0 111.933 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -59.98 -46.83 88.16 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.648 0.379 . . . . 0.0 110.29 175.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.518 HG13 HD12 ' A' ' 109' ' ' LEU . 3.6 m -73.59 -36.9 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.874 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -66.52 -28.35 68.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.324 0.65 . . . . 0.0 111.023 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -30.05 69.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.133 0.573 . . . . 0.0 111.086 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.51 4.68 53.06 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.643 0.777 . . . . 0.0 111.599 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.29 78.68 Favored Glycine 0 C--N 1.353 1.508 0 C-N-CA 122.937 0.304 . . . . 0.0 113.636 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.37 -179.97 47.62 Favored Glycine 0 C--N 1.344 0.99 0 C-N-CA 122.994 0.33 . . . . 0.0 113.798 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -114.78 155.12 27.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.355 1.062 . . . . 0.0 109.603 -174.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -157.03 155.23 30.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.202 0.601 . . . . 0.0 111.33 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.96 121.05 1.03 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.212 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.73 96.71 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.745 0.783 . . . . 0.0 110.027 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.62 -64.58 0.83 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.836 1.255 . . . . 0.0 111.275 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -98.01 145.16 26.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.799 0.44 . . . . 0.0 110.256 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -122.76 137.64 54.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.903 0.881 . . . . 0.0 109.338 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.29 -134.37 3.94 Favored Glycine 0 C--N 1.34 0.753 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.01 137.49 35.09 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.516 0.726 . . . . 0.0 111.093 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.43 -56.25 19.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.063 0.545 . . . . 0.0 112.167 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.02 -57.59 2.76 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.651 0.38 . . . . 0.0 111.615 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.62 4.72 39.15 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.35 153.47 47.98 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 120.113 -0.271 . . . . 0.0 112.823 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.77 165.43 16.9 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.651 HG12 HH21 ' A' ' 68' ' ' ARG . 41.8 mm -134.71 123.49 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.5 m-85 -123.15 113.05 18.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.984 0.914 . . . . 0.0 108.748 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.27 131.93 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.856 0.862 . . . . 0.0 109.084 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 2.0 ptm180 -108.6 115.87 30.91 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 109.648 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.586 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.6 tt0 -80.66 149.75 29.68 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -129.82 120.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.37 1.068 . . . . 0.0 108.167 173.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.444 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.3 mm? -83.71 137.89 33.55 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -60.42 -14.69 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.111 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.93 -42.18 77.1 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.006 1.322 . . . . 0.0 110.834 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.55 -15.03 2.03 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.003 -0.544 . . . . 0.0 113.413 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -88.96 163.53 15.52 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 117.478 0.639 . . . . 0.0 111.009 -174.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -126.83 170.51 12.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.507 1.123 . . . . 0.0 109.819 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.586 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 12.8 m-80 -143.95 162.66 35.58 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.461 1.504 . . . . 0.0 107.955 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD11 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -134.39 142.05 47.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.42 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 53.7 m-85 -132.95 148.92 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.531 1.132 . . . . 0.0 108.367 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 177.62 24.27 Favored Glycine 0 N--CA 1.466 0.654 0 CA-C-O 119.129 -0.817 . . . . 0.0 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.486 ' HB3' ' HD2' ' A' ' 68' ' ' ARG . 23.0 Cg_exo -65.81 117.59 4.77 Favored 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.321 2.014 . . . . 0.0 110.84 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 155.79 73.13 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 123.513 0.725 . . . . 0.0 110.988 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.38 85.39 0.45 Allowed 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.234 1.956 . . . . 0.0 110.325 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.98 139.75 57.21 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.922 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 m -77.57 73.03 4.15 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.456 0.646 . . . . 0.0 109.41 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 23.3 p90 -90.82 147.0 23.48 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.186 -175.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.66 104.04 14.85 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.0 19.16 11.19 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.83 1.252 . . . . 0.0 111.779 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 69.12 9.13 7.22 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 125.223 1.409 . . . . 0.0 112.961 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 33.4 mm-40 -67.68 -46.16 73.12 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.45 0.643 . . . . 0.0 109.641 172.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 37.5 t70 -63.93 -18.16 63.95 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.781 -173.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 HD13 ' CD2' ' A' ' 57' ' ' PHE . 45.3 mm -56.37 -40.85 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.972 0.891 . . . . 0.0 110.15 173.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.9 mtm -99.1 2.22 45.85 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.755 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.8 mmt180 -111.58 -23.94 10.4 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.337 0.655 . . . . 0.0 110.861 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.87 143.34 46.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.898 0.879 . . . . 0.0 109.494 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 126.76 28.49 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.651 HH21 HG12 ' A' ' 36' ' ' ILE . 13.0 ptt180 -73.35 122.27 21.77 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.424 ' HD3' HG23 ' A' ' 111' ' ' THR . 30.0 ttm-85 -77.26 164.96 25.1 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -102.21 164.8 11.49 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.733 0.413 . . . . 0.0 111.39 -176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -127.57 155.16 44.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.827 1.251 . . . . 0.0 108.351 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.5 m -87.79 102.85 15.07 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.442 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.0 mmm180 -72.04 -56.31 5.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.575 0.75 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . 92.6 mt -121.8 158.56 28.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.668 0.787 . . . . 0.0 109.748 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.54 138.27 16.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.025 0.53 . . . . 0.0 110.874 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.14 31.75 62.36 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 123.893 0.746 . . . . 0.0 113.511 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.0 -165.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.609 1.164 . . . . 0.0 110.099 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.47 170.89 8.55 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.318 0.647 . . . . 0.0 110.386 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -22.04 66.9 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.603 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.51 -41.87 83.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.035 0.534 . . . . 0.0 110.158 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.75 -37.21 84.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.423 0.689 . . . . 0.0 111.274 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.468 ' HA ' HD11 ' A' ' 49' ' ' LEU . 47.1 mm -62.86 -56.6 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.811 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.73 68.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.726 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -60.39 -44.66 95.44 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.824 0.703 . . . . 0.0 110.619 175.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.46 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tp -78.43 -44.94 23.48 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.323 0.39 . . . . 0.0 111.505 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.57 -35.23 65.53 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.58 0.55 . . . . 0.0 111.65 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -29.1 63.86 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.811 0.695 . . . . 0.0 110.473 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 68.0 mtt180 -73.09 -52.07 15.66 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.18 -38.28 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.636 -172.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -66.05 -29.3 69.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.55 0.531 . . . . 0.0 111.876 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -61.86 -48.74 79.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.518 0.727 . . . . 0.0 109.856 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.11 -52.9 9.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 0.0 110.635 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -134.5 97.15 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.253 1.021 . . . . 0.0 108.984 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 t -76.46 -5.52 47.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.577 0.751 . . . . 0.0 111.958 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.69 -2.7 18.27 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -72.7 154.14 40.84 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 121.565 0.698 . . . . 0.0 110.186 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -107.85 151.65 25.47 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.9 t -124.01 122.96 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -120.25 122.84 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.6 pt-20 -85.31 129.8 34.73 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 40' ' ' GLN . 46.1 pt -126.59 135.95 62.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -117.23 110.26 17.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.1 t -164.81 157.24 16.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.45 0.7 . . . . 0.0 110.953 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -69.45 -51.16 38.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.061 0.944 . . . . 0.0 111.243 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -105.67 172.56 6.73 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.948 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.404 HD13 HD23 ' A' ' 110' ' ' LEU . 9.4 tp -132.73 -40.45 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -175.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.8 95.02 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 123.448 0.467 . . . . 0.0 114.028 -167.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.5 t -69.3 -31.85 70.61 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.577 0.751 . . . . 0.0 111.76 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.518 HD12 HG13 ' A' ' 16' ' ' VAL . 2.2 pp -112.74 3.03 16.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.642 0.777 . . . . 0.0 112.349 -170.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.404 HD23 HD13 ' A' ' 106' ' ' ILE . 59.5 tp -174.36 116.04 0.2 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.853 1.261 . . . . 0.0 108.247 173.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.424 HG23 ' HD3' ' A' ' 69' ' ' ARG . 19.6 m -83.03 138.17 33.84 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.076 0.55 . . . . 0.0 111.182 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 mt -127.26 152.22 47.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.853 0.861 . . . . 0.0 110.836 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.23 -23.17 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.395 1.078 . . . . 0.0 109.392 170.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -83.08 -62.82 1.49 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.118 -174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -78.84 124.0 85.08 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.345 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.23 148.6 49.97 Favored 'Trans proline' 0 C--N 1.37 1.71 0 C-N-CA 122.427 2.085 . . . . 0.0 111.437 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -78.4 -29.32 47.18 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.549 0.739 . . . . 0.0 109.483 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.068 0.947 . . . . 0.0 108.863 173.819 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 42.1 mtm180 62.28 73.97 0.45 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.058 0.932 . . . . 0.0 109.837 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.508 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -123.17 171.46 9.31 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.758 -170.545 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 17.9 ptpt -78.41 172.7 13.24 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.297 0.373 . . . . 0.0 110.235 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.501 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.3 m -58.98 -47.68 84.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.541 1.136 . . . . 0.0 111.726 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.84 -39.9 95.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.578 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.508 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 6.4 tpt -69.59 -23.97 63.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -76.66 -49.15 16.86 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -62.52 -39.67 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 123.406 0.441 . . . . 0.0 111.535 -174.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -60.19 -47.31 86.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.63 0.772 . . . . 0.0 110.227 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.01 73.03 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.905 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.31 -41.53 96.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.929 1.292 . . . . 0.0 111.055 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 25' ' ' VAL . 83.2 mt -65.03 -36.39 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.312 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -74.49 -25.57 59.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.21 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -66.01 -48.2 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.294 0.371 . . . . 0.0 110.118 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.505 HG11 HD11 ' A' ' 109' ' ' LEU . 7.2 m -67.95 -42.29 85.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.306 -174.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.17 -28.66 63.37 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.364 0.665 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.375 . . . . 0.0 110.219 171.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.48 67.42 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.851 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.15 -19.56 4.33 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 123.22 0.438 . . . . 0.0 113.068 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.07 -179.97 44.28 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.25 0.46 . . . . 0.0 114.25 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 75.5 t80 -110.91 156.77 20.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.29 1.436 . . . . 0.0 109.676 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . -158.69 161.3 37.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.176 0.991 . . . . 0.0 110.479 171.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.63 126.41 1.06 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.997 0.811 . . . . 0.0 110.642 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.567 HG21 HD13 ' A' ' 13' ' ' ILE . 93.4 t -73.53 107.53 4.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -85.12 -56.14 3.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.823 0.849 . . . . 0.0 110.448 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -101.8 140.54 35.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.73 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -130.75 125.67 34.43 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.328 1.051 . . . . 0.0 109.134 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -133.09 4.19 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.81 121.75 18.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.336 0.655 . . . . 0.0 110.663 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -66.26 -44.06 84.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.68 0.792 . . . . 0.0 111.351 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.545 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -78.4 -57.21 3.9 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.639 0.776 . . . . 0.0 112.073 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.59 26.49 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.682 0.793 . . . . 0.0 113.098 -167.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.64 154.35 34.2 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 113.65 0.22 . . . . 0.0 113.65 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.65 31.88 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.6 mm -128.24 111.1 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.7 m-85 -110.54 113.7 26.53 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.785 0.834 . . . . 0.0 109.283 175.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -109.57 129.08 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.573 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -113.6 119.28 36.93 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.347 0.594 . . . . 0.0 110.275 -177.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.587 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.9 tp60 -82.24 146.95 29.21 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.689 1.596 . . . . 0.0 111.018 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -130.82 123.22 28.62 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.626 0.771 . . . . 0.0 109.338 172.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.9 mm? -93.42 167.95 11.38 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.046 0.938 . . . . 0.0 111.359 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.9 -27.84 68.5 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.069 170.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.42 -23.64 64.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.104 1.362 . . . . 0.0 111.919 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.9 20.42 55.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.15 177.81 4.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.047 0.939 . . . . 0.0 108.814 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.55 163.89 31.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.561 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.587 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.3 m-80 -134.36 164.57 27.12 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 168.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -133.8 143.4 48.36 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -129.27 159.57 35.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.183 0.993 . . . . 0.0 108.929 -176.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.59 172.6 31.71 Favored Glycine 0 N--CA 1.459 0.194 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 6.5 Cg_exo -73.17 118.05 5.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.303 2.002 . . . . 0.0 110.337 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 143.94 98.0 Favored Pre-proline 0 C--O 1.247 0.925 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.71 104.04 0.36 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.55 2.167 . . . . 0.0 110.523 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -54.27 122.0 9.41 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 111.005 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -76.28 88.41 3.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -119.76 160.11 23.23 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 0.0 110.565 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.79 137.77 33.6 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.368 1.067 . . . . 0.0 108.979 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 63.81 15.9 9.4 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.861 1.265 . . . . 0.0 111.177 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 58.65 18.97 6.3 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.177 1.391 . . . . 0.0 112.993 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -82.24 -46.27 13.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.53 0.732 . . . . 0.0 110.841 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.79 -6.32 20.66 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.325 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.36 -50.64 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.867 . . . . 0.0 109.551 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.3 mtm -90.4 -28.38 18.69 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.787 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -92.87 -5.8 50.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.183 0.593 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.93 141.17 17.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 109.56 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.56 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -82.79 159.93 22.37 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.024 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -81.76 134.87 35.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.09 0.472 . . . . 0.0 110.838 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.79 161.4 23.27 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.724 -1.214 . . . . 0.0 107.724 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.07 175.07 5.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 -176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.52 168.62 19.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.192 1.397 . . . . 0.0 109.059 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.4 m -101.5 111.95 24.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.05 -46.46 51.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.357 0.663 . . . . 0.0 110.73 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.7 mt -139.6 158.25 44.44 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.052 0.941 . . . . 0.0 109.153 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.14 136.03 14.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.21 26.09 68.95 Favored Glycine 0 C--N 1.357 1.725 0 O-C-N 123.881 0.738 . . . . 0.0 113.371 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.5 m -102.94 -167.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.802 1.241 . . . . 0.0 110.228 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.4 pt-20 -121.08 172.41 7.97 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.131 0.572 . . . . 0.0 110.805 177.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.95 65.94 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 124.122 0.889 . . . . 0.0 114.403 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.53 -44.59 82.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.074 0.55 . . . . 0.0 110.057 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.83 -38.1 85.78 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.599 0.76 . . . . 0.0 110.742 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 78' ' ' GLU . 49.1 mm -61.18 -56.47 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.357 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.54 65.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.783 0.833 . . . . 0.0 111.342 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -65.22 -39.18 92.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.092 0.557 . . . . 0.0 111.203 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -41.03 21.52 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.83 0.286 . . . . 0.0 111.038 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.62 -31.86 62.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.157 0.583 . . . . 0.0 111.082 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -75.17 -32.03 61.15 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.508 0.505 . . . . 0.0 110.17 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 33.6 mtp-105 -70.28 -50.39 39.99 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 121.496 0.665 . . . . 0.0 109.398 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -66.47 -42.79 86.99 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.497 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -66.43 -28.79 68.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 123.604 0.565 . . . . 0.0 111.393 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -62.4 -46.46 88.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.585 0.754 . . . . 0.0 110.08 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -89.96 -14.31 34.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.999 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -161.71 91.26 0.81 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.437 0.695 . . . . 0.0 109.837 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -77.09 -3.14 37.75 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 122.984 0.514 . . . . 0.0 110.723 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.44 3.26 16.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.762 0.825 . . . . 0.0 112.237 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.65 160.29 25.08 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.013 0.435 . . . . 0.0 110.906 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -118.25 127.34 53.63 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.98 1.312 . . . . 0.0 108.779 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.412 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 99.2 t -99.63 116.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.475 HG23 HG22 ' A' ' 25' ' ' VAL . 29.7 t -110.32 112.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 10.1 pt-20 -88.06 108.34 19.19 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.525 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -103.5 150.75 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.376 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 39.0 tt0 -138.83 105.91 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.407 HG22 HE22 ' A' ' 40' ' ' GLN . 4.8 t -159.84 159.97 33.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.779 -175.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -74.12 -45.33 49.63 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.338 0.655 . . . . 0.0 110.22 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -119.64 142.67 48.23 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.187 0.595 . . . . 0.0 110.129 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 tp -94.92 -35.98 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.446 0.698 . . . . 0.0 110.544 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.79 77.66 1.75 Allowed Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.83 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t 176.43 -30.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.361 1.464 . . . . 0.0 108.974 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.505 HD11 HG11 ' A' ' 16' ' ' VAL . 1.9 pp -125.44 -3.9 7.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.661 0.784 . . . . 0.0 112.531 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.54 138.52 13.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -107.29 125.08 50.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.537 0.735 . . . . 0.0 110.652 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.95 155.33 39.77 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.305 1.042 . . . . 0.0 110.512 -174.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.3 m -87.16 -28.05 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.853 0.861 . . . . 0.0 110.085 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.27 -46.44 41.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.863 0.865 . . . . 0.0 110.21 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.57 164.59 19.41 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 123.681 0.792 . . . . 0.0 110.133 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.29 174.86 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.32 2.68 . . . . 0.0 114.188 169.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.58 -57.1 4.4 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.561 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.321 -175.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 120.914 0.387 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 61.8 ttt-85 -80.31 102.36 9.49 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.244 0.545 . . . . 0.0 110.039 173.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.494 HD21 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 174.42 10.53 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.575 1.15 . . . . 0.0 109.636 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.7 ptpp? -72.96 169.32 17.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.383 0.273 . . . . 0.0 110.597 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.518 ' HB3' HD13 ' A' ' 36' ' ' ILE . 19.3 m -59.39 -45.06 92.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.146 0.979 . . . . 0.0 111.852 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.5 -39.53 94.69 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.508 1.123 . . . . 0.0 111.174 178.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.494 ' HG3' HD21 ' A' ' 3' ' ' LEU . 6.5 tpt -77.23 -23.77 51.29 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -76.3 -43.41 41.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.15 -41.67 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 123.507 0.504 . . . . 0.0 110.34 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.432 ' HB3' ' HE2' ' A' ' 7' ' ' MET . 29.7 t -62.36 -48.72 78.55 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.822 0.701 . . . . 0.0 109.664 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.22 -38.16 82.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.198 0.599 . . . . 0.0 111.226 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 tt -64.08 -38.68 91.94 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.108 0.963 . . . . 0.0 110.143 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 HD12 HG23 ' A' ' 25' ' ' VAL . 87.5 mt -63.74 -42.48 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.533 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -72.59 -24.37 61.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 122.111 -0.368 . . . . 0.0 110.606 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.4 mtt180 -65.07 -49.54 69.67 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.067 0.547 . . . . 0.0 110.549 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.521 HG11 HD13 ' A' ' 109' ' ' LEU . 5.5 m -68.74 -40.53 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.244 -174.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -69.56 -28.78 66.28 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.047 0.539 . . . . 0.0 110.679 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.65 66.85 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.774 0.43 . . . . 0.0 111.199 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -10.48 32.84 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.462 0.705 . . . . 0.0 111.765 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.7 4.8 56.9 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.95 -174.37 45.36 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-N 117.157 0.478 . . . . 0.0 113.4 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -112.93 159.22 19.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.426 1.09 . . . . 0.0 109.865 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.452 ' HB2' HG23 ' A' ' 16' ' ' VAL . . . -159.94 154.3 23.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.581 0.752 . . . . 0.0 111.421 174.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.46 124.05 1.14 Allowed 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.226 0.954 . . . . 0.0 110.046 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 HD12 ' A' ' 13' ' ' ILE . 57.9 t -69.54 103.93 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.228 0.611 . . . . 0.0 110.259 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.63 -66.87 0.49 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.062 0.945 . . . . 0.0 110.493 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -108.65 144.82 35.89 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.634 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 87.2 tttt -117.51 129.89 56.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.708 1.203 . . . . 0.0 109.215 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.06 -140.35 6.08 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.61 126.48 31.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.608 0.763 . . . . 0.0 110.845 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.49 -46.22 90.91 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.595 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.14 -61.77 1.67 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.808 0.443 . . . . 0.0 111.962 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.59 0.83 56.75 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -166.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.33 152.95 51.16 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 114.545 0.578 . . . . 0.0 114.545 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.76 165.16 22.18 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.518 HD13 ' HB3' ' A' ' 5' ' ' SER . 27.3 mm -133.46 113.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.556 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 30.9 m-85 -111.94 112.92 24.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.433 0.693 . . . . 0.0 109.161 172.205 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.94 141.71 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 14.7 ptp180 -106.67 134.22 50.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.558 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 56.4 tt0 -84.07 145.65 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 164.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -124.17 132.85 53.66 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.139 0.495 . . . . 0.0 109.801 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.18 143.99 27.45 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 167.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.768 HH22 ' HB3' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -63.3 -15.24 56.67 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.416 0.686 . . . . 0.0 111.508 173.824 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.08 -13.94 62.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.141 1.377 . . . . 0.0 112.031 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -5.88 66.26 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -150.5 153.37 35.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 0.0 110.218 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.558 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -118.72 170.81 8.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -139.72 142.98 36.82 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -132.2 156.45 46.43 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.499 1.12 . . . . 0.0 109.318 -176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.5 166.8 30.78 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.28 128.52 13.86 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 122.234 1.956 . . . . 0.0 111.601 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.78 164.06 15.8 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.215 1.006 . . . . 0.0 110.599 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.45 126.85 17.71 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.331 2.021 . . . . 0.0 110.944 165.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.02 166.23 23.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.305 0.642 . . . . 0.0 110.699 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.3 p -84.41 74.36 10.37 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.387 0.675 . . . . 0.0 110.027 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 54.4 p90 -88.67 136.95 32.74 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.429 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.58 108.61 20.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.842 0.857 . . . . 0.0 108.9 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 58.71 37.1 25.19 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.966 1.306 . . . . 0.0 111.706 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 62.86 22.02 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.969 1.308 . . . . 0.0 113.638 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.52 -58.73 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 172.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.8 m-20 -65.53 -8.14 18.14 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -170.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.7 mm -53.2 -38.94 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-O 121.915 0.864 . . . . 0.0 110.066 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -121.75 -3.32 9.24 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.272 -173.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.526 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 12.8 mmm180 -107.19 -16.87 14.3 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.451 0.7 . . . . 0.0 111.558 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.457 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . . . -147.16 165.71 29.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.339 0.656 . . . . 0.0 110.713 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -86.67 161.82 18.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.697 0.799 . . . . 0.0 111.191 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -68.17 127.48 33.06 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.739 170.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -86.1 154.54 21.3 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.402 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -101.09 175.14 5.69 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.996 0.519 . . . . 0.0 111.418 -173.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -140.48 157.45 45.49 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.23 1.412 . . . . 0.0 109.284 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -92.38 111.38 22.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.053 0.541 . . . . 0.0 109.547 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -74.26 -58.63 3.17 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.84 0.856 . . . . 0.0 111.13 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 HD11 HD11 ' A' ' 49' ' ' LEU . 83.6 mt -119.62 161.06 21.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.503 0.721 . . . . 0.0 109.298 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.75 126.36 8.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.414 0.286 . . . . 0.0 111.549 -176.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 35.41 91.99 Favored Glycine 0 C--N 1.353 1.498 0 O-C-N 123.871 0.732 . . . . 0.0 113.622 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -106.34 -165.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.325 1.45 . . . . 0.0 109.602 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.64 173.7 6.58 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.173 0.442 . . . . 0.0 110.935 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.95 -19.03 65.21 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 115.962 -0.563 . . . . 0.0 114.085 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.25 -47.28 80.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.75 -40.82 88.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.851 0.86 . . . . 0.0 110.76 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.516 ' HA ' HD11 ' A' ' 49' ' ' LEU . 38.6 mm -61.23 -56.68 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.06 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.95 68.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.946 0.498 . . . . 0.0 111.638 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.11 71.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.178 0.591 . . . . 0.0 111.167 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.423 HD22 HD13 ' A' ' 49' ' ' LEU . 1.7 tp -82.0 -47.93 12.07 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 122.173 0.189 . . . . 0.0 111.467 172.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD11 HD12 ' A' ' 96' ' ' LEU . 1.6 mm? -60.25 -27.21 67.05 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.72 -35.44 80.13 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 60.7 mtp85 -74.75 -49.97 19.06 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.706 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -61.81 -37.52 84.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.366 0.666 . . . . 0.0 111.648 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -70.98 -29.3 65.24 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.279 0.362 . . . . 0.0 111.302 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 30.2 ttm180 -63.72 -47.93 79.13 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.286 0.634 . . . . 0.0 110.271 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.67 -54.78 16.77 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -148.18 105.66 3.66 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.905 0.882 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.5 t -76.91 -1.81 30.39 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.42 3.76 4.47 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 86' ' ' LEU . 2.6 pt? -76.56 155.46 33.62 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.537 0.684 . . . . 0.0 111.627 177.386 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.409 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 21.6 m95 -111.97 131.61 55.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 114.313 -1.312 . . . . 0.0 107.997 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.556 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 21.9 t -112.17 126.53 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.39 122.22 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 123.157 0.583 . . . . 0.0 109.68 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.498 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 13.9 pt-20 -86.81 106.6 17.82 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 25.7 pt -107.47 147.76 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -120.27 125.68 48.71 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.499 HG21 HD12 ' A' ' 109' ' ' LEU . 8.8 t -172.76 166.25 5.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.668 1.187 . . . . 0.0 108.609 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.768 ' HB3' HH22 ' A' ' 43' ' ' ARG . 11.6 p-10 -102.07 -36.48 8.56 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 165.289 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -95.3 98.35 10.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.994 0.917 . . . . 0.0 109.964 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 tp -81.15 -31.49 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.028 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.81 -18.76 66.7 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 114.535 0.574 . . . . 0.0 114.535 -170.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -86.52 -24.76 25.41 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.521 HD13 HG11 ' A' ' 16' ' ' VAL . 1.9 pp -126.5 4.99 6.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -167.4 132.96 2.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.226 1.011 . . . . 0.0 109.149 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 15.4 m -95.21 129.85 42.17 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.643 0.777 . . . . 0.0 110.925 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.43 139.77 48.16 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.736 0.814 . . . . 0.0 111.486 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.1 m -79.61 -28.94 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.084 0.953 . . . . 0.0 110.289 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.2 -53.92 21.47 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.048 0.939 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -69.14 145.69 96.44 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -59.01 150.27 74.06 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 123.257 2.638 . . . . 0.0 113.763 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.71 -42.64 93.51 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.408 176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 124.441 1.097 . . . . 0.0 108.309 175.047 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.1 mmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -68.53 95.76 0.65 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.243 1.017 . . . . 0.0 110.677 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.51 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -146.53 -178.37 6.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.804 1.241 . . . . 0.0 109.551 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.04 155.61 39.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.592 0.357 . . . . 0.0 110.331 173.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.514 ' HB3' HD12 ' A' ' 36' ' ' ILE . 3.8 m -60.14 -36.24 77.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.337 1.055 . . . . 0.0 110.545 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.29 -51.8 67.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.452 1.101 . . . . 0.0 110.98 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.51 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.0 tpt -68.61 -23.74 64.49 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.264 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -69.86 -46.3 65.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.26 -43.67 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 50.3 m -54.62 -54.15 45.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.396 1.06 . . . . 0.0 109.957 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.427 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.67 -37.78 88.65 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.555 0.742 . . . . 0.0 112.019 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 110' ' ' LEU . 26.0 tp -58.6 -43.56 89.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.562 1.545 . . . . 0.0 111.139 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 HG22 ' HB1' ' A' ' 23' ' ' ALA . 79.7 mt -64.67 -38.36 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.465 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.433 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.6 mpt_? -73.75 -26.16 60.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 122.112 -0.368 . . . . 0.0 110.665 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.5 mtp180 -66.11 -44.44 84.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.051 0.54 . . . . 0.0 110.706 175.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG13 HD13 ' A' ' 109' ' ' LEU . 5.3 m -70.46 -42.41 78.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.08 -29.23 68.94 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.858 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -29.01 65.87 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.083 0.553 . . . . 0.0 111.224 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.66 4.57 52.39 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.69 0.796 . . . . 0.0 112.086 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.15 39.34 32.31 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-O 120.955 0.197 . . . . 0.0 113.117 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.2 175.25 18.96 Favored Glycine 0 N--CA 1.466 0.684 0 C-N-CA 123.989 0.804 . . . . 0.0 111.539 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.588 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 91.0 t80 -111.15 155.09 23.4 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.144 0.578 . . . . 0.0 110.161 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.462 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . -156.9 157.75 35.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.694 0.798 . . . . 0.0 110.918 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.23 135.81 2.64 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.333 1.021 . . . . 0.0 109.125 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 t -81.36 106.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.412 ' OE1' ' HD3' ' A' ' 39' ' ' ARG . 43.2 mt-10 -74.6 -54.11 8.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.796 0.438 . . . . 0.0 110.36 176.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -119.38 146.95 44.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 0.0 110.214 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.56 149.1 38.74 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.25 1.02 . . . . 0.0 109.697 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.45 -138.07 4.06 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.152 168.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.88 144.79 34.6 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.156 0.582 . . . . 0.0 111.221 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.47 -60.4 2.46 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 123.623 0.769 . . . . 0.0 112.199 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.12 -41.12 10.12 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.972 0.509 . . . . 0.0 111.504 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.2 13.54 34.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.692 0.797 . . . . 0.0 112.037 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.16 148.48 22.31 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -79.19 164.94 23.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.514 HD12 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -141.6 115.03 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 61.6 m-85 -114.77 112.67 23.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.56 0.744 . . . . 0.0 109.749 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.4 129.17 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.215 1.006 . . . . 0.0 109.068 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.412 ' HD3' ' OE1' ' A' ' 26' ' ' GLU . 8.3 ptm180 -112.82 121.74 45.61 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.876 0.87 . . . . 0.0 109.564 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.425 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.4 tt0 -102.8 121.42 42.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.6 0.76 . . . . 0.0 111.046 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 52.0 ttt180 -81.67 114.02 20.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 HD22 ' ND2' ' A' ' 48' ' ' ASN . 3.8 mm? -72.23 166.42 22.45 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 0.0 111.182 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -54.84 -30.16 56.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.919 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.07 -38.11 12.39 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.432 0.293 . . . . 0.0 111.074 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.34 1.23 Allowed Glycine 0 C--N 1.342 0.908 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' NH1' ' HB3' ' A' ' 78' ' ' GLU . 29.5 mmt180 -68.28 168.47 12.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.552 0.341 . . . . 0.0 111.383 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.4 mt-10 -138.75 152.38 47.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.74 0.781 . . . . 0.0 111.237 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.5 ' ND2' HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -106.16 166.82 10.24 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.426 1.09 . . . . 0.0 108.771 168.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -136.36 140.79 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 174.236 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 47.3 m-85 -129.17 146.98 50.98 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.571 1.148 . . . . 0.0 108.125 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.55 168.49 27.31 Favored Glycine 0 N--CA 1.468 0.788 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.774 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.23 124.37 12.86 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 122.605 2.204 . . . . 0.0 111.166 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.3 152.43 55.32 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 123.309 0.643 . . . . 0.0 110.615 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.61 97.54 0.38 Allowed 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.266 1.977 . . . . 0.0 110.692 170.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -64.68 109.72 2.12 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.299 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 t -62.88 95.71 0.08 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.414 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -84.78 132.9 34.37 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.767 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.29 102.57 14.35 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.53 32.77 3.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.651 1.181 . . . . 0.0 110.546 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 64.19 15.15 9.16 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.453 1.101 . . . . 0.0 112.317 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -42.89 36.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.331 -0.231 . . . . 0.0 110.955 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -12.11 17.36 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.725 0.81 . . . . 0.0 112.997 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.4 mm -61.74 -41.02 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.495 0.718 . . . . 0.0 110.059 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.9 ptp -119.47 -7.76 10.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.404 1.081 . . . . 0.0 111.467 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -119.9 11.05 11.71 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.593 0.757 . . . . 0.0 111.135 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.75 151.14 31.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.897 0.879 . . . . 0.0 109.021 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.11 177.12 9.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -81.03 106.86 13.36 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.127 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -91.6 148.13 22.5 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 172.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.408 ' HB2' HD21 ' A' ' 112' ' ' LEU . 2.0 m-85 -99.85 176.19 5.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.395 0.678 . . . . 0.0 110.902 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -139.36 168.85 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.799 1.64 . . . . 0.0 107.839 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.476 ' HG1' ' HG2' ' A' ' 115' ' ' GLN . 21.2 m -96.56 107.3 19.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -68.14 -59.81 2.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.332 0.653 . . . . 0.0 109.676 175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.06 159.17 29.03 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.723 0.809 . . . . 0.0 110.438 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.22 118.87 7.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.911 0.484 . . . . 0.0 110.714 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.18 29.63 68.42 Favored Glycine 0 C--N 1.349 1.287 0 O-C-N 123.63 0.581 . . . . 0.0 114.056 172.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.55 150.13 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.448 1.099 . . . . 0.0 109.813 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.494 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 11.9 pt-20 -72.7 169.95 15.56 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.882 0.373 . . . . 0.0 111.823 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.17 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 114.933 -1.03 . . . . 0.0 115.135 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.9 -51.03 64.16 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.12 -36.9 84.38 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.844 0.858 . . . . 0.0 111.355 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.456 ' HA ' HD11 ' A' ' 49' ' ' LEU . 49.9 mm -58.96 -55.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.944 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.44 68.22 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.647 0.779 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.84 75.22 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.381 0.672 . . . . 0.0 111.167 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -82.34 -41.11 20.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.723 0.238 . . . . 0.0 111.166 173.124 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -55.91 -32.1 63.46 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.191 0.596 . . . . 0.0 110.881 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -34.15 72.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.862 0.726 . . . . 0.0 110.425 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -73.59 -48.0 36.08 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.375 0.607 . . . . 0.0 110.094 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.11 -34.35 68.54 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.23 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.418 ' HA ' HD23 ' A' ' 96' ' ' LEU . 23.1 ptt180 -71.24 -30.07 65.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 123.479 0.487 . . . . 0.0 111.574 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.73 -49.37 78.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.768 0.827 . . . . 0.0 109.739 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.96 -54.26 10.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.403 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -135.2 102.46 5.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.108 0.563 . . . . 0.0 109.967 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -71.26 -1.87 14.17 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.889 0.876 . . . . 0.0 110.648 171.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -70.46 0.85 5.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.974 0.91 . . . . 0.0 112.258 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.0 pt? -76.89 146.77 37.44 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.34 0.59 . . . . 0.0 110.977 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.45 125.74 51.33 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -99.18 115.17 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.84 117.08 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -85.68 107.94 17.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -103.58 160.27 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.588 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.2 tm-20 -143.81 107.82 4.72 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -172.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 t -170.23 163.98 8.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.672 0.789 . . . . 0.0 110.461 -171.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.07 -48.07 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.991 0.917 . . . . 0.0 110.251 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.81 150.97 26.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.363 0.665 . . . . 0.0 110.333 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 112' ' ' LEU . 10.3 tp -111.3 -35.7 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.117 0.567 . . . . 0.0 111.009 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.78 66.17 3.38 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 123.493 0.496 . . . . 0.0 113.106 -172.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.9 t -175.04 -35.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.084 1.353 . . . . 0.0 108.767 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD13 HG13 ' A' ' 16' ' ' VAL . 2.1 pp -115.41 -4.42 12.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.653 0.781 . . . . 0.0 111.869 -174.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.445 HD12 HD12 ' A' ' 12' ' ' LEU . 60.0 tp -156.63 150.36 24.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.503 1.121 . . . . 0.0 108.171 171.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.5 m -108.99 131.34 55.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.178 0.591 . . . . 0.0 110.708 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 106' ' ' ILE . 16.6 mt -126.87 161.98 26.99 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.521 1.128 . . . . 0.0 109.827 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.3 0.28 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 110.405 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -103.98 -55.22 2.41 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.599 0.76 . . . . 0.0 110.403 -169.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.476 ' HG2' ' HG1' ' A' ' 72' ' ' THR . 14.3 mm100 -67.32 145.53 98.57 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-O 118.881 -0.581 . . . . 0.0 110.11 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -55.7 102.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.385 2.724 . . . . 0.0 113.04 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -75.46 126.01 30.16 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.234 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.168 0 O-C-N 124.686 1.241 . . . . 0.0 111.542 175.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 67' ' ' GLU . 90.5 mtt180 -83.86 94.75 8.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.955 0.902 . . . . 0.0 109.484 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.1 -169.14 2.77 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.654 0.782 . . . . 0.0 111.294 -170.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.639 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.9 ptpt -95.7 175.53 6.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 175.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.513 ' HB3' HD13 ' A' ' 36' ' ' ILE . 9.4 m -60.77 -48.09 83.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.599 1.16 . . . . 0.0 112.637 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.39 -37.77 87.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.641 0.777 . . . . 0.0 111.034 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.6 tpt -73.52 -23.95 60.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.139 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -75.58 -51.97 11.65 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.45 -39.15 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 123.879 0.737 . . . . 0.0 111.572 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 51.3 p -66.31 -50.19 64.47 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.32 0.648 . . . . 0.0 110.63 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.09 -30.67 71.78 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.014 0.525 . . . . 0.0 111.677 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.28 -41.34 96.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.179 1.392 . . . . 0.0 111.023 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.514 HG22 ' HB2' ' A' ' 23' ' ' ALA . 94.1 mt -67.18 -35.21 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.081 176.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.0 mpt_? -72.5 -26.41 61.77 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.551 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 61.7 mtp180 -67.57 -45.07 76.64 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.834 0.453 . . . . 0.0 110.415 175.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG13 HD12 ' A' ' 109' ' ' LEU . 6.8 m -71.32 -43.79 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 -175.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -66.67 -28.18 68.26 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.342 0.657 . . . . 0.0 110.826 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -30.97 71.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.055 0.542 . . . . 0.0 111.11 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.48 57.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.649 0.78 . . . . 0.0 112.085 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.75 46.78 7.05 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.15 179.16 17.06 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.662 0.648 . . . . 0.0 112.056 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.6 t80 -115.39 154.74 28.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.706 0.802 . . . . 0.0 109.517 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' HG22 ' A' ' 13' ' ' ILE . . . -163.13 165.73 24.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.051 0.54 . . . . 0.0 111.985 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.02 138.34 0.25 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.851 1.26 . . . . 0.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 99' ' ' VAL . 95.2 t -80.72 115.13 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 122.809 0.443 . . . . 0.0 110.269 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.33 -59.17 2.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.949 0.899 . . . . 0.0 110.412 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -107.95 142.37 38.16 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.56 0.744 . . . . 0.0 110.288 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -119.24 142.15 48.29 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.121 0.968 . . . . 0.0 109.768 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.15 -138.8 4.31 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.382 172.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.71 124.12 25.39 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.622 0.769 . . . . 0.0 110.433 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.01 -37.08 83.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 -171.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.639 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.05 -60.35 2.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.136 0.574 . . . . 0.0 112.301 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.7 18.23 19.86 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -166.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.06 151.74 42.76 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 113.784 0.273 . . . . 0.0 113.784 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.51 152.96 35.89 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 HD13 ' HB3' ' A' ' 5' ' ' SER . 33.9 mm -127.03 122.94 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.807 -0.558 . . . . 0.0 109.754 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.4 m-85 -122.11 135.54 54.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.898 1.279 . . . . 0.0 108.577 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.59 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.05 0.54 . . . . 0.0 109.748 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.468 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 9.1 ptp180 -109.86 110.77 21.84 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.488 0.715 . . . . 0.0 109.073 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 tp60 -80.62 109.58 15.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.252 1.021 . . . . 0.0 109.559 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.06 111.76 23.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.627 0.771 . . . . 0.0 110.004 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.14 145.24 31.15 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.993 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.495 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -48.36 -28.88 3.45 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.467 172.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.93 -9.04 57.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.785 0.834 . . . . 0.0 112.392 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.02 60.89 Favored Glycine 0 C--N 1.343 0.92 0 O-C-N 123.14 0.275 . . . . 0.0 112.564 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -92.25 153.64 19.13 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 32.1 mt-10 -141.02 141.0 34.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.793 0.837 . . . . 0.0 109.62 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.421 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.7 OUTLIER -113.28 131.4 55.94 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD12 HG22 ' A' ' 82' ' ' ILE . 16.8 tp -100.06 143.73 29.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -127.23 156.59 41.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.173 0.989 . . . . 0.0 109.576 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.34 165.05 26.14 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -81.78 105.02 1.49 Allowed 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 122.296 1.997 . . . . 0.0 109.927 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' H ' ' HA ' ' A' ' 70' ' ' PHE . . . -60.5 148.08 81.54 Favored Pre-proline 0 C--O 1.249 1.051 0 C-N-CA 122.813 0.445 . . . . 0.0 111.406 -173.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -59.73 117.72 4.5 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.326 2.017 . . . . 0.0 109.807 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.07 152.63 7.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.463 1.105 . . . . 0.0 112.099 -173.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 m -79.63 56.78 2.3 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.574 0.702 . . . . 0.0 109.561 173.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.594 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 49.1 p90 -86.95 137.75 32.1 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.429 -170.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.65 119.43 38.88 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.023 0.929 . . . . 0.0 108.907 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 65.32 17.88 11.15 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.522 1.129 . . . . 0.0 111.652 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.45 22.77 13.14 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.382 1.073 . . . . 0.0 111.868 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.0 -49.66 10.01 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.611 0.72 . . . . 0.0 109.282 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 32.6 t70 -67.08 -7.95 26.82 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.495 1.518 . . . . 0.0 113.979 -169.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -43.95 -49.74 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 125.497 1.519 . . . . 0.0 112.282 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.63 24.66 8.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.51 -173.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 56.0 mmm-85 -113.71 -31.75 6.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.098 0.959 . . . . 0.0 109.267 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.83 157.91 40.19 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.036 0.934 . . . . 0.0 110.062 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 2' ' ' ARG . 48.3 tt0 -65.16 127.65 32.54 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.672 0.789 . . . . 0.0 110.494 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -77.22 125.37 29.22 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -81.34 166.12 20.75 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.6 m-85 -102.36 173.94 6.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.056 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -141.48 166.64 24.2 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.206 1.403 . . . . 0.0 108.644 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.465 ' HG1' ' HG2' ' A' ' 115' ' ' GLN . 22.7 m -103.27 109.85 21.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.918 0.487 . . . . 0.0 109.762 -176.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -71.36 -53.17 15.03 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.467 0.707 . . . . 0.0 110.05 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.36 160.16 37.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.323 1.049 . . . . 0.0 109.035 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.27 116.66 6.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.627 0.371 . . . . 0.0 111.36 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.99 31.74 78.87 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 123.786 0.679 . . . . 0.0 113.913 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.96 -170.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.82 0.848 . . . . 0.0 109.779 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.554 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 11.0 pt-20 -98.15 165.97 11.64 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.784 0.434 . . . . 0.0 110.698 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.68 69.15 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.604 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.554 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 8.4 tp10 -55.9 -46.96 78.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.196 0.998 . . . . 0.0 110.708 171.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 21.7 mm-40 -69.99 -41.1 74.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.056 0.543 . . . . 0.0 110.906 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.402 HG22 HD12 ' A' ' 49' ' ' LEU . 34.2 mm -56.84 -56.25 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.03 71.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.783 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.44 94.21 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.363 0.665 . . . . 0.0 111.186 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 1.1 tt -81.51 -36.39 29.26 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.2 mt -56.87 -28.2 61.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.947 0.499 . . . . 0.0 110.802 175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.64 -44.6 70.29 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 110.818 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 74.4 mtp180 -69.54 -39.54 77.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.245 0.618 . . . . 0.0 110.764 -175.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.9 -44.17 64.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.323 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -65.46 -29.4 70.07 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.974 0.416 . . . . 0.0 111.21 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.81 -32.1 72.39 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.688 0.795 . . . . 0.0 110.551 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -96.55 -24.47 16.04 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.654 0.782 . . . . 0.0 111.801 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.16 92.41 1.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.023 0.529 . . . . 0.0 110.602 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -73.95 -10.89 60.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.359 0.664 . . . . 0.0 110.65 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -81.07 14.56 2.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 112.349 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.3 160.64 24.14 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.044 0.449 . . . . 0.0 109.873 168.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -115.94 149.52 38.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 108.27 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 40.8 t -126.82 128.3 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 171.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.43 HG21 HG21 ' A' ' 25' ' ' VAL . 21.6 t -116.56 127.0 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 12.2 pt-20 -85.48 112.44 20.9 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -112.05 139.72 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.426 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.5 tm-20 -124.76 107.57 11.07 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.5 t -162.49 164.85 26.8 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.178 0.591 . . . . 0.0 110.694 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.0 -54.72 6.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.813 0.845 . . . . 0.0 111.115 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -111.82 148.82 32.77 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.449 0.7 . . . . 0.0 110.647 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' A' ' 40' ' ' GLN . 8.2 tp -106.96 -37.16 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.101 0.56 . . . . 0.0 112.142 -170.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -37.62 94.5 Favored Glycine 0 C--N 1.348 1.211 0 N-CA-C 113.924 0.329 . . . . 0.0 113.924 -167.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.4 t -66.27 -28.0 68.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.785 0.834 . . . . 0.0 112.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.532 HD12 HG13 ' A' ' 16' ' ' VAL . 2.0 pp -121.9 1.88 9.91 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.6 tp -157.99 137.36 11.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.634 0.774 . . . . 0.0 108.986 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.1 m -104.32 121.38 43.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.238 0.615 . . . . 0.0 111.361 -172.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mt -129.08 153.35 47.73 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.459 0.703 . . . . 0.0 111.4 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 -30.22 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.664 0.786 . . . . 0.0 110.05 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.42 -43.71 20.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 111.011 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.465 ' HG2' ' HG1' ' A' ' 72' ' ' THR . 15.4 mm100 -71.25 139.82 84.87 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 175.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.62 133.32 41.87 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.879 2.386 . . . . 0.0 111.852 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -72.62 118.58 15.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.566 0.747 . . . . 0.0 110.182 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.192 0 C-N-CA 124.716 1.206 . . . . 0.0 110.85 -177.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.433 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 75.3 mtm180 51.06 71.75 0.41 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.185 1.394 . . . . 0.0 111.537 -174.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 7' ' ' MET . 15.8 mt -106.44 166.51 10.49 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.186 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 18.6 ptpt -89.66 178.51 6.25 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 167.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' HB3' HD13 ' A' ' 36' ' ' ILE . 14.2 m -56.26 -47.52 78.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.522 0.729 . . . . 0.0 111.746 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.58 -51.61 68.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.847 1.259 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.471 ' HG3' HD23 ' A' ' 3' ' ' LEU . 8.6 tpt -73.3 -26.5 61.09 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.807 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -74.05 -40.97 62.45 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.055 0.542 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.09 -38.11 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 123.742 0.651 . . . . 0.0 110.671 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.3 m -55.7 -39.3 70.83 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.364 0.665 . . . . 0.0 110.528 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.31 63.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.302 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -42.31 94.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.802 1.241 . . . . 0.0 111.365 -171.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.42 ' O ' HG21 ' A' ' 16' ' ' VAL . 1.6 mp -54.21 -50.91 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 O-C-N 123.799 0.687 . . . . 0.0 109.779 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -72.42 -24.77 61.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.814 0.446 . . . . 0.0 111.289 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.2 -45.09 96.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 111.043 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.54 HG12 HD12 ' A' ' 109' ' ' LEU . 2.9 m -74.77 -34.99 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.628 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.31 -28.3 67.05 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.287 0.635 . . . . 0.0 110.597 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.01 70.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.031 0.532 . . . . 0.0 110.748 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.39 -19.16 30.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.791 0.836 . . . . 0.0 111.549 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.14 48.94 Favored Glycine 0 C--N 1.347 1.142 0 C-N-CA 122.892 0.282 . . . . 0.0 113.625 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.52 -160.39 25.48 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.157 0.408 . . . . 0.0 113.317 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -132.68 155.28 49.08 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.542 1.137 . . . . 0.0 108.737 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' HB3' HG22 ' A' ' 16' ' ' VAL . . . -157.12 158.4 36.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.842 0.457 . . . . 0.0 111.241 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 128.83 1.06 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.257 0.973 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.12 99.66 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.61 -52.18 34.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.662 0.785 . . . . 0.0 111.34 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -118.09 147.33 43.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.395 0.678 . . . . 0.0 109.462 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -131.7 119.49 21.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.39 -122.8 4.1 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.56 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.63 126.37 35.6 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.47 -50.51 73.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.215 1.006 . . . . 0.0 112.463 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.54 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.71 -62.47 1.48 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.2 0.6 . . . . 0.0 111.31 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.03 4.14 49.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -166.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.08 174.53 49.25 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 -175.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.88 162.24 13.5 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.872 0.869 . . . . 0.0 109.009 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 5' ' ' SER . 40.9 mm -129.93 112.47 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.3 m-85 -113.77 113.75 25.38 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.602 0.761 . . . . 0.0 109.602 173.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.25 140.52 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.514 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.14 112.12 17.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.594 0.758 . . . . 0.0 109.41 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.475 ' HA ' HG13 ' A' ' 101' ' ' ILE . 46.7 tt0 -80.46 146.21 31.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.471 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 ttm180 -123.01 129.45 51.52 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.653 0.781 . . . . 0.0 109.513 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.489 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.9 mm? -97.92 147.85 24.04 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.273 1.029 . . . . 0.0 110.981 -174.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.89 -19.11 63.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.623 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.36 -21.88 61.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.067 0.947 . . . . 0.0 111.161 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.28 22.84 11.05 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.895 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -111.47 -178.4 3.44 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.559 0.743 . . . . 0.0 109.895 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.488 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 29.9 mt-10 -149.45 159.0 44.67 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.933 1.293 . . . . 0.0 110.025 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' HD21 ' A' ' 42' ' ' LEU . 23.4 m-80 -125.09 170.67 10.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.346 1.058 . . . . 0.0 108.534 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 ' HG ' HG22 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -139.35 141.68 37.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.131 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 46.9 m-85 -131.95 140.13 48.9 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.398 1.079 . . . . 0.0 109.302 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.67 160.61 24.58 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.93 108.65 2.35 Favored 'Trans proline' 0 C--N 1.364 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 110.656 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.32 151.14 97.45 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 123.647 0.779 . . . . 0.0 110.907 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -63.74 98.95 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.638 2.225 . . . . 0.0 111.352 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.92 148.68 50.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.249 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.4 p -73.28 89.74 1.59 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.192 0.597 . . . . 0.0 110.34 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -96.76 141.31 30.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.659 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.61 116.08 31.08 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 55.51 34.06 22.31 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.481 1.113 . . . . 0.0 111.624 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 64.39 15.24 9.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.675 1.19 . . . . 0.0 113.408 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.37 -53.1 39.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.999 0.52 . . . . 0.0 110.669 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.09 -15.78 57.76 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.251 1.02 . . . . 0.0 113.038 -173.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.61 -38.27 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.655 0.782 . . . . 0.0 110.946 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -129.03 -3.93 5.08 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.886 1.275 . . . . 0.0 111.474 -169.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -121.31 -3.02 9.47 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.377 0.671 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.37 165.48 27.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.842 0.857 . . . . 0.0 109.438 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HB2' ' HA ' ' A' ' 2' ' ' ARG . 32.0 tt0 -93.98 137.51 33.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.825 0.45 . . . . 0.0 110.259 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -87.54 131.92 34.22 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 110.253 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -85.06 156.93 20.88 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.03 174.89 5.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.825 0.45 . . . . 0.0 110.656 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.06 151.82 45.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.741 1.217 . . . . 0.0 108.703 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.9 m -84.95 104.21 14.69 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.47 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 26.7 mmm180 -65.29 -63.79 1.02 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.853 0.861 . . . . 0.0 109.765 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.484 HD12 HD11 ' A' ' 49' ' ' LEU . 57.7 mt -118.21 155.67 30.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.402 1.081 . . . . 0.0 108.83 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.94 135.98 13.84 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.51 26.8 72.01 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.986 0.803 . . . . 0.0 113.404 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG23 ' HB3' ' A' ' 74' ' ' LEU . 30.5 m -114.24 173.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.351 1.06 . . . . 0.0 110.341 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.8 pt-20 -86.24 166.12 15.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.84 0.456 . . . . 0.0 110.625 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.99 63.84 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 123.859 0.724 . . . . 0.0 114.128 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.9 -40.22 75.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.08 0.552 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 42.1 mm-40 -63.89 -40.89 97.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.441 0.696 . . . . 0.0 110.058 174.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.522 HG22 ' HG ' ' A' ' 49' ' ' LEU . 49.5 mm -59.79 -57.93 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.184 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.15 -20.05 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.443 0.697 . . . . 0.0 111.711 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.22 70.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.469 0.708 . . . . 0.0 111.417 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.403 HD23 HD13 ' A' ' 49' ' ' LEU . 1.5 tp -82.98 -45.64 13.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.344 0.258 . . . . 0.0 111.549 170.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.16 -29.07 63.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.72 -35.2 74.81 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.398 0.437 . . . . 0.0 111.012 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.18 -46.6 41.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.795 0.838 . . . . 0.0 110.421 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.11 -42.47 96.88 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.239 0.616 . . . . 0.0 111.003 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -68.57 -28.54 67.04 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.621 0.576 . . . . 0.0 111.36 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -62.81 -46.17 89.2 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.678 0.791 . . . . 0.0 109.729 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -76.66 -45.25 30.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.126 0.57 . . . . 0.0 110.846 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.71 104.45 3.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.973 0.909 . . . . 0.0 110.012 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 t -67.72 -25.27 65.57 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.043 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -67.99 15.06 0.05 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.0 26.67 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.007 0.523 . . . . 0.0 109.799 165.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -118.55 128.13 54.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.554 1.142 . . . . 0.0 108.445 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 43.4 t -101.74 129.95 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.37 121.31 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -85.64 132.66 34.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.475 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.2 pt -129.9 124.3 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -101.23 102.92 13.91 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.7 t -164.5 156.48 16.17 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.75 0.82 . . . . 0.0 109.378 -174.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.62 -28.49 15.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.035 0.445 . . . . 0.0 110.375 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -103.48 152.08 22.08 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.62 1.168 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 112' ' ' LEU . 10.0 tp -126.5 -38.79 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -43.07 99.76 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.371 0.419 . . . . 0.0 113.107 -166.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.7 t -65.22 -23.66 67.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.291 1.036 . . . . 0.0 112.93 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.54 HD12 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -120.25 -0.94 10.34 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.384 0.673 . . . . 0.0 112.486 -172.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.416 HD22 HD12 ' A' ' 106' ' ' ILE . 56.6 tp -170.55 124.05 0.68 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.127 0.971 . . . . 0.0 109.221 176.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -88.12 134.49 33.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.322 0.649 . . . . 0.0 111.0 -174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 106' ' ' ILE . 30.8 mt -132.57 149.16 52.36 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.948 0.899 . . . . 0.0 111.386 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.31 -20.91 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.157 0.983 . . . . 0.0 110.287 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -87.13 -69.56 0.67 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.165 0.586 . . . . 0.0 109.969 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -69.82 143.94 92.78 Favored Pre-proline 0 N--CA 1.483 1.217 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.419 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.58 167.78 23.22 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.109 2.539 . . . . 0.0 112.983 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -70.93 115.53 10.17 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.542 -179.688 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 120.974 0.416 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 64' ' ' MET . 53.8 ttt85 -75.66 122.97 24.76 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 169.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.26 175.36 12.72 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.261 1.024 . . . . 0.0 109.405 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -69.27 165.24 21.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.579 0.228 . . . . 0.0 110.534 175.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.516 ' HB3' HD13 ' A' ' 36' ' ' ILE . 20.1 m -62.23 -34.76 77.11 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 110.673 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' O ' HG21 ' A' ' 9' ' ' VAL . 4.3 tm-20 -65.77 -50.17 65.71 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.759 1.224 . . . . 0.0 110.28 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.544 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 7.9 tpt -67.63 -21.53 65.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.047 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.1 -47.92 40.21 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 6' ' ' GLU . 17.6 m -66.16 -37.58 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.583 0.552 . . . . 0.0 110.951 -177.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.46 ' HB2' ' HE1' ' A' ' 7' ' ' MET . 20.2 m -63.58 -47.02 83.21 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.497 0.719 . . . . 0.0 110.134 177.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.472 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.11 -33.56 76.06 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.187 0.595 . . . . 0.0 111.316 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD13 HD13 ' A' ' 110' ' ' LEU . 24.9 tp -63.3 -43.79 96.86 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.067 1.347 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.411 HD12 HG21 ' A' ' 25' ' ' VAL . 80.2 mt -60.73 -40.11 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.871 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -26.22 61.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 76.0 mtp180 -69.53 -43.18 73.53 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.94 0.496 . . . . 0.0 110.512 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.535 HG13 HD12 ' A' ' 109' ' ' LEU . 10.4 m -71.56 -40.71 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.692 -176.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 51.6 m-85 -69.47 -27.9 65.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.008 0.523 . . . . 0.0 110.916 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.38 67.9 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.072 0.549 . . . . 0.0 111.32 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.88 4.66 40.42 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.842 0.857 . . . . 0.0 111.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.83 -12.13 68.3 Favored Glycine 0 C--N 1.353 1.51 0 N-CA-C 114.16 0.424 . . . . 0.0 114.16 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.38 170.26 52.52 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.008 0.337 . . . . 0.0 113.63 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -107.6 159.11 16.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.878 1.271 . . . . 0.0 109.145 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.458 ' HB2' HG22 ' A' ' 16' ' ' VAL . . . -160.57 156.79 26.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.39 0.676 . . . . 0.0 111.462 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.02 132.55 1.74 Allowed 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.33 1.019 . . . . 0.0 109.71 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG21 HD12 ' A' ' 13' ' ' ILE . 59.5 t -77.18 107.91 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.256 0.622 . . . . 0.0 109.905 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.66 -61.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 0.0 110.223 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -102.49 145.41 29.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.627 0.771 . . . . 0.0 110.076 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -144.17 123.53 13.08 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.525 0.73 . . . . 0.0 110.531 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.01 -123.54 2.65 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-O 119.921 -0.377 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.28 127.15 32.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.642 0.777 . . . . 0.0 110.588 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.54 -46.98 35.51 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.158 0.583 . . . . 0.0 112.316 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.0 -55.42 4.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.913 0.485 . . . . 0.0 111.029 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.76 16.39 25.99 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.83 154.83 34.44 Favored Glycine 0 C--N 1.347 1.143 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.63 154.41 24.94 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.516 HD13 ' HB3' ' A' ' 5' ' ' SER . 35.0 mm -130.71 119.75 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 78.9 m-85 -116.24 114.84 24.95 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.381 1.073 . . . . 0.0 109.053 174.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.18 132.41 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -112.38 110.52 20.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.519 ' HA ' HG13 ' A' ' 101' ' ' ILE . 45.4 tt0 -80.87 138.28 36.18 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 39.9 ttt85 -112.25 115.1 28.25 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.24 145.04 55.59 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -17.55 21.98 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -176.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.02 -38.83 24.42 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.65 -28.19 0.67 Allowed Glycine 0 C--N 1.35 1.359 0 O-C-N 123.324 0.39 . . . . 0.0 112.937 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.5 176.56 6.72 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.063 0.545 . . . . 0.0 111.832 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 46.0 mt-10 -144.91 166.66 24.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.193 0.997 . . . . 0.0 111.56 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -140.13 143.06 36.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.805 1.242 . . . . 0.0 107.9 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 82' ' ' ILE . 14.4 tp -106.95 144.23 33.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -131.52 149.98 52.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.484 1.113 . . . . 0.0 109.114 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.0 168.76 26.9 Favored Glycine 0 N--CA 1.469 0.884 0 CA-C-O 119.297 -0.724 . . . . 0.0 111.878 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.63 109.83 2.98 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.71 2.274 . . . . 0.0 111.543 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.73 149.69 77.93 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.053 0.541 . . . . 0.0 111.296 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.69 99.78 0.56 Allowed 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.514 2.143 . . . . 0.0 110.334 173.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -62.78 148.85 45.63 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.827 -177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 m -74.6 92.15 2.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.782 0.433 . . . . 0.0 110.373 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -97.46 135.11 39.8 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.809 0.443 . . . . 0.0 111.306 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.73 126.47 51.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.212 1.005 . . . . 0.0 108.35 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 t70 67.23 14.16 9.64 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.126 1.37 . . . . 0.0 110.879 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.78 22.24 12.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.537 1.135 . . . . 0.0 111.375 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.88 -56.7 10.43 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.932 0.493 . . . . 0.0 110.357 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.72 -19.41 10.88 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.4 mm -57.27 -43.03 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 123.981 0.912 . . . . 0.0 110.829 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -125.96 3.87 7.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.101 0.96 . . . . 0.0 112.527 -178.017 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -102.88 -50.78 3.44 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.105 0.479 . . . . 0.0 109.985 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.0 171.87 7.09 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.608 0.763 . . . . 0.0 111.503 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.63 169.66 12.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.679 0.792 . . . . 0.0 110.808 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -94.73 151.19 19.47 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.386 0.674 . . . . 0.0 110.05 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -121.28 151.27 40.23 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.45 175.48 5.56 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.29 0.636 . . . . 0.0 111.45 -172.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.79 162.73 34.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.7 1.2 . . . . 0.0 109.369 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 32.9 m -98.99 106.32 18.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.411 0.684 . . . . 0.0 109.663 -177.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -76.74 -53.45 7.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.63 0.772 . . . . 0.0 110.512 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.6 mt -126.92 161.01 29.31 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.131 0.972 . . . . 0.0 108.635 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.91 136.8 12.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.992 0.517 . . . . 0.0 111.333 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.57 22.33 67.76 Favored Glycine 0 C--N 1.354 1.564 0 O-C-N 123.674 0.608 . . . . 0.0 114.14 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.9 m -96.11 -169.04 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.09 0.956 . . . . 0.0 110.013 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.531 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.3 pt-20 -104.73 166.84 10.12 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.93 -17.62 58.73 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.367 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.81 -34.24 60.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.071 0.548 . . . . 0.0 110.748 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.531 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 12.6 mm-40 -69.88 -38.05 76.23 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 175.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 49' ' ' LEU . 45.3 mm -57.96 -56.07 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.377 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.24 66.99 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.908 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.99 79.65 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.838 0.711 . . . . 0.0 111.712 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.52 -43.24 15.96 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 117.564 0.166 . . . . 0.0 111.279 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.8 mt -50.24 -40.45 47.8 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.387 0.675 . . . . 0.0 111.428 -176.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.72 -33.37 75.49 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.422 0.689 . . . . 0.0 111.826 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -73.54 -53.28 10.93 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 110.127 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.17 -43.23 92.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.995 0.918 . . . . 0.0 111.409 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -70.46 -30.82 67.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 123.441 0.463 . . . . 0.0 111.92 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -36.01 81.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.773 0.829 . . . . 0.0 110.525 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.38 -61.5 1.93 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.971 0.509 . . . . 0.0 109.793 171.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.39 103.97 5.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.622 0.769 . . . . 0.0 109.721 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -78.95 -0.75 32.23 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.036 1.334 . . . . 0.0 112.834 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.69 6.31 5.04 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.36 161.68 27.85 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.136 0.493 . . . . 0.0 110.179 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -115.73 143.59 45.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.304 1.042 . . . . 0.0 108.779 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.466 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 97.5 t -119.26 117.95 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.4 HG23 ' HB ' ' A' ' 9' ' ' VAL . 34.1 t -112.44 119.44 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.0 pt-20 -86.16 107.67 17.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.519 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.1 pt -104.94 134.13 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.37 110.27 19.11 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.411 ' HG1' HD23 ' A' ' 109' ' ' LEU . 4.4 t -159.28 159.38 33.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 111.385 -173.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.54 -44.68 33.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.93 0.892 . . . . 0.0 110.648 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.23 176.96 5.07 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.738 0.815 . . . . 0.0 109.745 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tp -129.03 -32.65 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -173.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.52 -35.66 92.33 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -165.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -26.34 60.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.959 0.504 . . . . 0.0 112.224 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 HG13 ' A' ' 16' ' ' VAL . 2.7 pp -118.11 -3.33 11.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -167.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.438 HD13 HD13 ' A' ' 12' ' ' LEU . 48.4 tp -155.74 136.35 13.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -95.76 127.38 41.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.028 0.531 . . . . 0.0 110.915 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 mt -130.26 149.94 51.73 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.584 0.753 . . . . 0.0 111.72 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.46 -30.51 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.153 0.981 . . . . 0.0 109.725 174.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.02 -61.64 1.82 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.579 0.752 . . . . 0.0 110.901 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -62.99 147.63 93.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 O-C-N 123.717 0.636 . . . . 0.0 111.283 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.45 155.83 67.75 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.517 2.145 . . . . 0.0 112.178 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.99 -39.23 91.53 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.497 0.719 . . . . 0.0 111.815 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.252 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.134 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 56.19 68.03 0.92 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.635 1.174 . . . . 0.0 111.405 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.459 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -132.38 -176.62 4.14 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.933 0.893 . . . . 0.0 110.726 -173.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 98.5 mttt -72.05 158.09 36.59 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.234 170.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.525 ' HB3' HD11 ' A' ' 36' ' ' ILE . 10.5 m -60.08 -35.07 74.39 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.154 0.982 . . . . 0.0 110.474 172.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 34.1 tt0 -60.29 -51.02 71.31 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.539 1.135 . . . . 0.0 111.402 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.459 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.4 tpt -73.21 -25.69 60.86 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.833 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.49 -53.91 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 124.005 0.816 . . . . 0.0 111.016 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.404 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 22.7 m -55.94 -48.37 75.86 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.014 0.821 . . . . 0.0 110.21 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -62.68 -39.28 93.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.536 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.96 -42.95 95.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.353 1.061 . . . . 0.0 109.865 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.514 HG21 ' HB2' ' A' ' 23' ' ' ALA . 87.0 mt -62.39 -40.51 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.347 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 10' ' ' SER . 4.8 mpt_? -68.81 -30.36 68.91 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.986 0.514 . . . . 0.0 111.31 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 97.6 mtt180 -66.98 -46.18 75.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.393 0.677 . . . . 0.0 110.6 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG12 HD12 ' A' ' 109' ' ' LEU . 5.3 m -71.23 -41.61 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -68.26 -28.95 67.66 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.145 0.578 . . . . 0.0 110.763 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.71 77.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.033 0.533 . . . . 0.0 110.808 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.59 -5.27 59.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.706 0.802 . . . . 0.0 112.162 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.71 -3.84 61.16 Favored Glycine 0 C--N 1.353 1.493 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.79 -170.56 44.53 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.393 0.521 . . . . 0.0 113.691 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -124.91 159.18 31.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 0.0 109.096 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.514 ' HB2' HG21 ' A' ' 13' ' ' ILE . . . -157.58 158.97 36.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.722 0.809 . . . . 0.0 110.462 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.75 120.18 1.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.254 0.971 . . . . 0.0 109.383 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.53 104.05 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 121.678 0.752 . . . . 0.0 109.984 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.34 -59.96 2.57 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -100.15 147.01 26.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.34 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.3 tttm -127.98 118.1 22.93 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.837 0.855 . . . . 0.0 109.258 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 -139.37 7.82 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.251 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.32 144.93 39.9 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.148 0.579 . . . . 0.0 111.253 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 65.6 mt-10 -67.54 -63.16 1.12 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.435 -176.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.77 -34.07 14.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.725 0.41 . . . . 0.0 111.934 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.1 27.6 9.45 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.233 0.613 . . . . 0.0 111.637 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.9 142.15 16.8 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 116.748 -0.206 . . . . 0.0 113.024 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.42 156.76 32.87 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.525 HD11 ' HB3' ' A' ' 5' ' ' SER . 31.2 mm -137.95 105.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.2 m-85 -109.56 112.1 24.0 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.84 146.52 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.669 1.188 . . . . 0.0 108.35 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 100' ' ' GLU . 10.1 ptp85 -116.97 125.64 51.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.451 HE21 HG23 ' A' ' 103' ' ' THR . 2.5 tt0 -83.72 141.43 31.46 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -120.38 114.03 21.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.57 148.95 48.71 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.435 0.459 . . . . 0.0 110.025 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -60.58 -19.63 58.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.203 1.001 . . . . 0.0 111.49 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.92 -51.92 42.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.358 0.663 . . . . 0.0 110.384 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.07 -13.95 2.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.896 -0.593 . . . . 0.0 113.165 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -71.98 163.29 28.12 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.264 0.532 . . . . 0.0 109.99 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.54 156.03 47.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.898 0.479 . . . . 0.0 111.201 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.43 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 18.0 m-80 -135.82 138.53 42.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.331 1.052 . . . . 0.0 108.71 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD12 HG22 ' A' ' 82' ' ' ILE . 12.4 tp -101.8 143.94 31.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.556 0.743 . . . . 0.0 109.301 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -126.37 162.13 26.25 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.56 1.144 . . . . 0.0 110.415 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.43 168.45 32.64 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.84 115.78 4.26 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.745 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.532 ' HB3' ' HB3' ' A' ' 71' ' ' GLU . . . -83.28 158.7 63.42 Favored Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 122.564 0.345 . . . . 0.0 110.147 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.93 161.64 32.21 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.408 2.072 . . . . 0.0 111.517 170.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -120.16 171.96 8.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.581 0.752 . . . . 0.0 109.633 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -85.19 97.78 10.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.33 143.48 51.02 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.479 0.711 . . . . 0.0 110.827 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.86 126.53 54.91 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.998 0.919 . . . . 0.0 109.28 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.03 16.65 10.09 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 124.642 1.177 . . . . 0.0 111.746 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.27 20.06 11.48 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.343 1.057 . . . . 0.0 112.273 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.68 -35.35 52.35 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.004 0.921 . . . . 0.0 111.089 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -84.57 -4.71 59.12 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.735 0.814 . . . . 0.0 113.013 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.73 -48.73 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 C-N-CA 123.511 0.724 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -26.05 17.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.643 -176.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -98.99 2.38 46.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.123 0.969 . . . . 0.0 111.776 -166.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.97 146.8 36.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.191 0.996 . . . . 0.0 108.846 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.66 144.69 37.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -97.79 158.29 15.6 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.516 0.726 . . . . 0.0 109.813 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -99.62 159.92 14.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -101.37 176.44 5.24 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.88 0.472 . . . . 0.0 110.46 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 14.7 pt-20 -137.61 159.39 42.1 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.347 1.059 . . . . 0.0 109.783 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -99.71 112.47 24.71 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -72.63 -50.84 22.53 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.47 0.652 . . . . 0.0 109.912 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -130.24 147.06 51.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 108.168 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.47 135.16 24.81 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.201 0.455 . . . . 0.0 112.121 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.65 44.41 96.9 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 124.306 1.004 . . . . 0.0 112.625 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.24 -178.36 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.666 1.187 . . . . 0.0 109.757 -175.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.23 168.17 10.59 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.097 0.559 . . . . 0.0 110.959 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.15 -25.68 69.81 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.939 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.9 -45.97 90.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.223 0.609 . . . . 0.0 110.32 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.71 -40.53 95.34 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.644 0.778 . . . . 0.0 111.122 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.465 HG22 HD12 ' A' ' 49' ' ' LEU . 31.0 mm -58.96 -56.09 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.75 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.2 68.06 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.882 0.873 . . . . 0.0 112.103 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.17 77.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.438 0.695 . . . . 0.0 111.438 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.13 -41.08 20.95 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.476 0.485 . . . . 0.0 111.278 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 80.9 mt -56.23 -32.2 64.23 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.803 0.441 . . . . 0.0 111.728 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -33.94 68.58 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.669 0.606 . . . . 0.0 110.492 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.91 -44.48 61.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.003 0.521 . . . . 0.0 109.898 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.85 -39.52 63.93 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.493 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -66.19 -28.94 69.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 123.27 0.356 . . . . 0.0 111.572 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -59.01 -43.9 91.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.998 0.919 . . . . 0.0 110.224 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -77.53 -51.29 10.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.26 0.624 . . . . 0.0 111.234 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -139.62 108.27 5.92 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.088 0.955 . . . . 0.0 109.789 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -78.08 -2.22 36.23 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.085 0.954 . . . . 0.0 111.822 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.7 2.04 7.3 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -77.31 150.47 35.24 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.389 0.614 . . . . 0.0 111.098 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 18.6 m95 -107.52 141.47 38.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.821 1.249 . . . . 0.0 107.706 172.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 98.5 t -113.97 116.62 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 174.642 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.11 113.11 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 8.1 pt-20 -90.03 108.14 19.55 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.083 0.468 . . . . 0.0 109.921 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 29.5 pt -105.11 145.15 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.782 . . . . 0.0 109.722 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -118.65 116.64 27.02 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.548 ' HG1' HD23 ' A' ' 109' ' ' LEU . 9.8 t -159.23 153.67 24.09 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.966 0.412 . . . . 0.0 111.292 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -82.69 -38.15 23.8 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.17 0.988 . . . . 0.0 111.288 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.97 132.88 54.34 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.574 0.749 . . . . 0.0 109.258 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.409 HD11 HD21 ' A' ' 110' ' ' LEU . 9.2 tp -95.17 -36.54 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 122.874 0.47 . . . . 0.0 112.258 -172.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.5 -41.16 98.57 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 -165.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.0 t -65.89 -27.19 68.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.229 1.012 . . . . 0.0 112.681 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.553 HD12 HG12 ' A' ' 16' ' ' VAL . 1.7 pp -117.85 -3.7 11.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.76 0.824 . . . . 0.0 112.009 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.409 HD21 HD11 ' A' ' 106' ' ' ILE . 57.6 tp -170.12 106.45 0.33 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.326 1.05 . . . . 0.0 108.736 176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 m -85.56 132.68 34.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.63 0.772 . . . . 0.0 111.153 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.408 HD13 HG12 ' A' ' 106' ' ' ILE . 10.9 mt -127.85 147.83 50.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.635 1.174 . . . . 0.0 110.107 -171.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.73 -27.73 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.774 0.829 . . . . 0.0 110.285 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -67.76 -55.88 11.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.112 0.965 . . . . 0.0 110.282 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.18 154.29 92.23 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.407 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.61 -70.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 122.575 2.184 . . . . 0.0 113.241 -173.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -152.71 -173.5 4.59 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.519 1.127 . . . . 0.0 109.507 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.697 171.723 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -81.4 105.97 13.0 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.522 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -154.21 173.99 15.37 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.983 1.313 . . . . 0.0 108.886 -175.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.24 161.65 26.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.633 0.373 . . . . 0.0 110.928 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.507 ' HB3' HD13 ' A' ' 36' ' ' ILE . 22.6 m -62.81 -30.29 71.36 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.802 0.841 . . . . 0.0 111.009 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.18 -52.85 63.08 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.685 0.794 . . . . 0.0 110.844 173.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.522 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.8 tpt -74.87 -22.86 58.42 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.94 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.51 -43.41 90.19 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.95 -51.26 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.045 0.841 . . . . 0.0 110.659 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 18.9 m -58.08 -37.92 75.4 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.046 0.841 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.504 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -73.15 -38.72 66.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.63 0.772 . . . . 0.0 110.874 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.1 -42.95 99.69 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.648 1.179 . . . . 0.0 109.45 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.471 HG22 ' HB2' ' A' ' 23' ' ' ALA . 89.7 mt -60.46 -42.58 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.476 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 10' ' ' SER . 8.4 mpt_? -69.94 -28.66 65.75 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.017 0.527 . . . . 0.0 111.305 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 98.7 mtt180 -66.53 -42.3 87.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.241 0.616 . . . . 0.0 110.791 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.519 HG12 HD12 ' A' ' 109' ' ' LEU . 4.4 m -72.56 -39.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.135 -175.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.63 -28.72 66.15 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.775 0.43 . . . . 0.0 110.451 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.27 73.87 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.843 0.457 . . . . 0.0 110.787 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.29 -16.62 36.96 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.746 0.818 . . . . 0.0 111.931 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.98 -16.23 28.02 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 122.982 0.325 . . . . 0.0 113.537 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.99 -176.64 41.17 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 114.22 0.448 . . . . 0.0 114.22 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -112.56 157.61 20.96 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.541 1.137 . . . . 0.0 109.544 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' HB2' HG22 ' A' ' 13' ' ' ILE . . . -158.1 157.42 32.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.548 0.739 . . . . 0.0 111.178 173.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.84 122.38 0.98 Allowed 'General case' 0 C--N 1.351 0.655 0 O-C-N 123.949 0.78 . . . . 0.0 110.142 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -85.83 102.07 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 121.578 0.704 . . . . 0.0 110.426 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.71 -61.24 1.94 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.616 1.167 . . . . 0.0 111.583 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -95.92 148.05 23.03 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.83 0.348 . . . . 0.0 110.489 -179.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.402 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.5 tttm -125.1 148.02 48.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 109.908 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.86 -127.9 2.52 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.902 169.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.33 145.96 27.98 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.87 0.868 . . . . 0.0 111.543 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.54 -64.08 1.03 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 112.098 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -43.73 8.03 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.907 0.483 . . . . 0.0 111.124 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.15 -2.61 45.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.634 0.773 . . . . 0.0 112.966 -172.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.37 144.26 22.32 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-O 119.906 -0.386 . . . . 0.0 112.812 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.414 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -77.16 161.77 27.94 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.507 HD13 ' HB3' ' A' ' 5' ' ' SER . 30.3 mm -132.41 115.68 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 84.2 m-85 -114.3 116.43 28.97 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 99' ' ' VAL . 48.8 t -115.75 138.49 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.977 1.311 . . . . 0.0 109.407 -176.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.644 HH22 HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -111.55 125.07 53.52 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 170.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.53 ' HA ' HG13 ' A' ' 101' ' ' ILE . 4.7 tt0 -81.25 134.5 35.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 165.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 47.1 ttt85 -113.59 120.6 41.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -92.43 157.51 16.55 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.623 -175.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -54.62 -30.93 56.31 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.183 1.393 . . . . 0.0 111.954 170.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -28.85 68.85 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.643 1.177 . . . . 0.0 111.802 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.96 37.07 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.683 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -87.8 164.38 15.96 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.217 0.607 . . . . 0.0 109.532 179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.2 mt-10 -140.58 160.95 38.89 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.557 0.743 . . . . 0.0 110.054 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -137.0 130.53 31.59 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -176.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.537 ' HB3' ' HB2' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -99.88 142.21 31.66 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -177.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 37.7 m-85 -130.19 134.17 47.1 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 124.376 1.071 . . . . 0.0 108.747 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.83 165.89 14.66 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.23 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 C-N-CA 122.165 1.91 . . . . 0.0 110.1 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.48 148.16 81.19 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 123.112 0.565 . . . . 0.0 111.535 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.45 104.11 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.708 2.272 . . . . 0.0 110.587 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.99 142.66 50.53 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.696 0.799 . . . . 0.0 110.351 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.8 m -76.21 76.25 3.02 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 172.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -102.09 146.99 27.14 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.208 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.76 113.19 23.95 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 169.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.26 34.71 13.09 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.419 1.087 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 47.27 27.49 0.87 Allowed 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 126.214 1.806 . . . . 0.0 113.856 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -72.48 -50.64 24.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.362 0.665 . . . . 0.0 110.677 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.79 -7.79 5.66 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.247 1.019 . . . . 0.0 113.535 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 mm -63.2 -41.46 92.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-O 121.564 0.697 . . . . 0.0 109.751 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.3 mtm -99.87 -45.13 5.82 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.877 1.271 . . . . 0.0 110.131 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -74.11 -8.04 54.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.86 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.81 152.14 38.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.931 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.46 126.9 31.16 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 171.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -82.92 135.82 34.78 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.963 0.411 . . . . 0.0 109.917 176.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.3 164.71 13.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.491 0.716 . . . . 0.0 109.693 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.96 173.12 6.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.79 148.01 50.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.638 1.175 . . . . 0.0 108.69 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -81.34 100.13 9.04 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 175.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.537 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.5 mmm180 -67.28 -59.39 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.682 0.793 . . . . 0.0 109.671 177.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -122.19 158.42 29.44 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.147 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.44 136.62 14.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.577 0.351 . . . . 0.0 111.199 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.3 22.56 71.14 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.892 0.745 . . . . 0.0 113.352 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.39 -166.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.368 1.067 . . . . 0.0 109.847 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -122.13 174.81 6.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.687 0.395 . . . . 0.0 110.765 173.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -23.63 63.33 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 124.012 0.82 . . . . 0.0 114.688 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.22 -49.0 75.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.894 0.478 . . . . 0.0 110.571 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -62.86 -39.81 95.54 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.002 0.814 . . . . 0.0 110.752 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.53 HG22 ' HG ' ' A' ' 49' ' ' LEU . 43.5 mm -59.5 -50.48 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.467 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.45 64.15 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.666 0.786 . . . . 0.0 111.79 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -31.79 72.61 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.537 HD22 HD11 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -80.75 -38.1 29.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.804 174.083 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.644 HD22 HH22 ' A' ' 39' ' ' ARG . 62.3 mt -51.14 -39.29 55.95 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.878 0.471 . . . . 0.0 111.941 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -32.53 70.98 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.867 0.729 . . . . 0.0 109.949 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -73.18 -41.67 63.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.476 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -77.41 -41.2 40.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.554 0.741 . . . . 0.0 111.764 -174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -66.88 -25.96 66.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 123.571 0.544 . . . . 0.0 111.39 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -55.6 -43.56 76.17 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.211 0.605 . . . . 0.0 111.111 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -89.64 -46.15 8.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.951 0.901 . . . . 0.0 111.624 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -136.8 96.84 3.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.939 1.296 . . . . 0.0 108.362 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -78.09 -2.8 39.11 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.97 14.83 3.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.244 0.618 . . . . 0.0 112.115 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 1.5 pp -73.81 156.33 37.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.65 0.38 . . . . 0.0 110.369 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.402 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m95 -116.07 128.01 55.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.182 0.993 . . . . 0.0 108.916 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.436 HG13 ' CZ ' ' A' ' 39' ' ' ARG . 53.1 t -97.89 117.09 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.1 t -120.79 126.59 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.086 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -93.14 143.73 25.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 168.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.53 HG13 ' HA ' ' A' ' 40' ' ' GLN . 43.1 pt -137.59 129.39 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -108.17 102.5 11.64 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.483 HG21 HE21 ' A' ' 40' ' ' GLN . 7.9 t -168.37 154.61 7.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.17 0.988 . . . . 0.0 108.876 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -89.92 -33.97 16.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.1 0.56 . . . . 0.0 110.442 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.57 109.98 21.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.915 0.886 . . . . 0.0 110.057 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -85.86 -33.72 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.974 0.509 . . . . 0.0 111.266 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.05 5.53 18.35 Favored Glycine 0 C--N 1.348 1.222 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -167.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -115.46 -9.59 12.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 117.875 0.838 . . . . 0.0 111.633 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.519 HD12 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -135.56 0.54 2.75 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.235 0.614 . . . . 0.0 112.247 -171.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 tp -165.49 128.66 2.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.268 1.027 . . . . 0.0 108.763 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.6 m -94.33 137.33 33.62 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.666 0.786 . . . . 0.0 110.754 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -130.64 148.02 52.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.442 1.097 . . . . 0.0 110.529 -173.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.8 m -77.95 -27.12 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.488 0.715 . . . . 0.0 110.213 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.17 -57.58 3.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 111.062 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -65.3 148.44 97.96 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.311 0.644 . . . . 0.0 111.432 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -63.97 145.88 90.52 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.704 2.269 . . . . 0.0 112.614 -173.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -77.92 169.68 17.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.111 0.964 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 C-N-CA 123.551 0.74 . . . . 0.0 110.622 -179.513 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.28 29.93 13.8 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.415 1.486 . . . . 0.0 111.893 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.513 HD23 ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -91.92 174.07 7.52 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.969 0.508 . . . . 0.0 110.632 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.0 mtmm -68.08 162.21 25.13 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.875 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.567 ' HB3' HD12 ' A' ' 36' ' ' ILE . 49.9 m -55.79 -42.89 76.25 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.463 1.105 . . . . 0.0 111.752 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.56 -44.3 74.78 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.519 0.728 . . . . 0.0 110.514 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.513 ' HG3' HD23 ' A' ' 3' ' ' LEU . 8.1 tpt -68.22 -24.36 64.91 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.488 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -76.48 -49.95 15.26 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.8 m -67.32 -36.51 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 123.615 0.572 . . . . 0.0 111.848 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m -62.92 -49.61 74.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.029 0.531 . . . . 0.0 109.634 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.52 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.365 0.666 . . . . 0.0 111.499 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.48 -40.72 95.59 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.897 1.279 . . . . 0.0 111.14 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.506 HD13 HG21 ' A' ' 25' ' ' VAL . 95.8 mt -64.58 -36.92 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.518 176.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -74.15 -25.12 59.56 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.486 0.314 . . . . 0.0 110.899 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -66.39 -43.86 84.68 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.758 0.423 . . . . 0.0 110.318 174.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.49 HG12 HD11 ' A' ' 109' ' ' LEU . 3.8 m -70.78 -38.64 73.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -71.45 -28.41 63.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.933 0.493 . . . . 0.0 110.739 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -30.03 70.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.893 0.477 . . . . 0.0 111.037 170.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.55 -19.9 28.76 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.559 0.743 . . . . 0.0 111.701 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.56 -4.73 37.28 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.895 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.46 -177.37 51.74 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 122.958 0.314 . . . . 0.0 113.214 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 92.8 t80 -112.87 159.0 19.48 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.225 1.01 . . . . 0.0 109.585 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 100' ' ' GLU . . . -161.91 160.44 27.92 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.158 0.583 . . . . 0.0 111.932 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.63 137.36 0.8 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.488 1.118 . . . . 0.0 109.844 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 13' ' ' ILE . 86.1 t -82.14 115.02 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 122.974 0.51 . . . . 0.0 109.761 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.87 -51.4 7.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.895 0.878 . . . . 0.0 110.775 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -114.95 140.45 49.01 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.612 0.765 . . . . 0.0 110.002 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 57.2 tttm -129.81 119.32 23.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.536 0.734 . . . . 0.0 109.96 -174.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.31 -132.26 4.04 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.91 -0.383 . . . . 0.0 112.505 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.83 121.15 15.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.052 0.941 . . . . 0.0 111.494 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 44.0 mt-10 -63.21 -35.39 80.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.818 0.847 . . . . 0.0 112.975 -172.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -47.17 6.53 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.19 11.24 14.06 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -168.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.43 138.96 43.39 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 113.791 0.276 . . . . 0.0 113.791 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.71 109.32 11.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.571 0.748 . . . . 0.0 110.674 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' A' ' 5' ' ' SER . 24.6 mm -85.53 105.34 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 122.121 -0.362 . . . . 0.0 110.401 -171.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.1 m-85 -103.11 113.2 26.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.954 0.902 . . . . 0.0 109.416 172.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.8 139.23 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.821 0.848 . . . . 0.0 109.066 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.6 ' HD3' HG22 ' A' ' 82' ' ' ILE . 19.6 ptt85 -113.09 122.96 49.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.522 ' HA ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -78.37 143.8 36.52 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.486 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 50.3 ttt85 -124.99 115.85 21.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.087 0.555 . . . . 0.0 109.97 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.518 HD22 ' ND2' ' A' ' 48' ' ' ASN . 2.4 mm? -84.57 154.61 22.51 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.941 0.896 . . . . 0.0 109.537 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -21.45 64.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.794 0.838 . . . . 0.0 112.182 177.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.82 -12.64 61.07 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.391 1.076 . . . . 0.0 111.514 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.72 -7.21 63.07 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -89.82 167.81 12.56 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.098 0.559 . . . . 0.0 110.141 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -147.61 166.44 27.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.692 0.797 . . . . 0.0 110.627 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.518 ' ND2' HD22 ' A' ' 42' ' ' LEU . 26.6 m-80 -136.55 133.09 36.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.553 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -101.16 143.13 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.057 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 31.0 m-85 -129.84 143.67 50.93 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.814 1.245 . . . . 0.0 108.787 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.22 169.58 23.93 Favored Glycine 0 N--CA 1.466 0.689 0 CA-C-O 119.06 -0.856 . . . . 0.0 111.179 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.88 111.18 2.11 Favored 'Trans proline' 0 C--N 1.367 1.55 0 C-N-CA 122.351 2.034 . . . . 0.0 110.931 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.55 153.8 95.29 Favored Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 123.333 0.653 . . . . 0.0 111.763 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.24 95.12 0.25 Allowed 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.548 2.166 . . . . 0.0 111.119 170.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.8 125.44 23.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.702 0.801 . . . . 0.0 109.853 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 p -81.26 78.44 8.04 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 109.272 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -89.59 177.91 6.42 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.15 101.66 7.52 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 75.68 -68.3 0.21 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.535 1.934 . . . . 0.0 110.801 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -175.5 11.31 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.887 0.875 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.79 -56.9 4.29 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 122.029 -0.42 . . . . 0.0 111.39 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.47 -8.94 29.52 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mm -50.02 -44.03 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.761 1.224 . . . . 0.0 111.658 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.6 11.83 6.82 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.962 0.905 . . . . 0.0 111.199 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmm-85 -109.54 -13.41 14.56 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.471 0.708 . . . . 0.0 109.884 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.64 139.27 43.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.554 1.142 . . . . 0.0 108.816 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.91 157.33 37.63 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.646 0.778 . . . . 0.0 111.253 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -65.54 135.25 54.88 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.001 0.92 . . . . 0.0 109.789 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -117.2 151.14 37.51 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 173.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.486 ' HB2' HD21 ' A' ' 112' ' ' LEU . 2.6 m-85 -100.48 172.11 7.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.713 -172.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -134.77 145.58 48.55 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.894 1.278 . . . . 0.0 107.999 176.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.636 ' HG1' ' HG2' ' A' ' 115' ' ' GLN . 13.2 m -79.7 102.23 8.86 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.489 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 25.8 mmm180 -68.39 -71.7 0.2 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 110.031 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.406 HD13 HD12 ' A' ' 49' ' ' LEU . 77.1 mt -105.74 157.6 17.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.825 0.85 . . . . 0.0 108.88 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.54 135.46 15.55 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.507 0.323 . . . . 0.0 111.63 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.51 31.32 63.13 Favored Glycine 0 C--N 1.358 1.751 0 O-C-N 124.304 1.002 . . . . 0.0 113.254 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.5 -165.36 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 C-N-CA 125.009 1.324 . . . . 0.0 108.26 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -127.69 176.09 7.79 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.152 0.887 . . . . 0.0 110.962 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.57 -24.79 62.35 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 123.902 0.751 . . . . 0.0 113.824 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.32 -48.59 79.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.438 0.695 . . . . 0.0 110.349 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.71 -37.26 82.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.281 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.6 HG22 ' HD3' ' A' ' 39' ' ' ARG . 37.9 mm -65.29 -57.09 12.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.657 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.97 -24.65 68.0 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.002 0.814 . . . . 0.0 111.638 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.16 89.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.389 0.676 . . . . 0.0 110.912 174.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.488 HD22 HD11 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -74.55 -40.52 61.64 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 178.229 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.4 mt -58.07 -29.04 65.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.111 0.564 . . . . 0.0 110.736 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.0 tp10 -68.98 -41.57 77.7 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 111.123 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -72.61 -53.22 12.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.807 0.443 . . . . 0.0 110.536 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.433 ' HG2' ' HG ' ' A' ' 85' ' ' LEU . 21.9 mm-40 -63.55 -34.52 77.98 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.269 1.028 . . . . 0.0 112.214 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.8 ptt180 -64.65 -30.68 71.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.382 0.426 . . . . 0.0 111.293 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -66.15 -41.21 90.73 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.382 0.673 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.95 -42.25 27.35 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.135 0.574 . . . . 0.0 110.236 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -142.15 96.68 3.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.439 1.096 . . . . 0.0 109.629 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 t -77.14 -8.83 58.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.559 0.743 . . . . 0.0 110.904 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -84.89 9.55 14.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.439 0.695 . . . . 0.0 112.32 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.73 154.84 36.15 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 20.6 m95 -112.82 135.7 53.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.437 1.095 . . . . 0.0 109.306 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.477 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 58.3 t -109.48 125.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.483 HG21 HG22 ' A' ' 25' ' ' VAL . 22.1 t -119.78 123.12 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.4 pt-20 -87.08 129.6 34.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 169.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.522 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -126.77 131.3 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 42.7 tt0 -103.06 106.17 16.64 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.51 ' HG1' HD23 ' A' ' 109' ' ' LEU . 9.0 t -165.37 162.04 19.31 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.276 0.63 . . . . 0.0 110.621 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.99 -29.55 11.33 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.386 1.074 . . . . 0.0 109.765 171.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.94 99.68 9.6 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 108.948 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.427 HG12 HD13 ' A' ' 112' ' ' LEU . 8.5 tp -84.21 -35.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.953 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.17 69.16 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.46 0.544 . . . . 0.0 114.46 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -85.41 -27.53 25.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.127 0.571 . . . . 0.0 111.541 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD23 ' HG1' ' A' ' 103' ' ' THR . 2.6 pp -121.94 -3.26 9.15 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -168.438 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -159.98 137.76 9.9 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.671 0.788 . . . . 0.0 109.003 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 m -95.9 133.38 40.14 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.884 0.473 . . . . 0.0 111.104 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.486 HD21 ' HB2' ' A' ' 70' ' ' PHE . 20.8 mt -127.21 151.02 49.24 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.828 0.851 . . . . 0.0 110.659 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.37 -24.64 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.949 0.9 . . . . 0.0 109.944 172.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -85.58 -65.89 0.96 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 111.068 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.636 ' HG2' ' HG1' ' A' ' 72' ' ' THR . 15.7 mm100 -64.17 142.13 98.21 Favored Pre-proline 0 N--CA 1.477 0.883 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.12 121.73 9.9 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.36 2.706 . . . . 0.0 111.701 167.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -80.32 -156.51 0.13 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.107 0.963 . . . . 0.0 110.245 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.158 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.126 -175.036 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -142.01 177.77 7.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.766 0.826 . . . . 0.0 110.665 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.667 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.3 ptpt -80.16 169.83 17.27 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.708 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.8 m -59.18 -46.38 88.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.545 1.138 . . . . 0.0 111.961 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.24 -36.02 82.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.993 0.917 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.498 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.7 tpt -77.34 -26.57 52.2 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.576 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -73.36 -45.79 52.89 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 36' ' ' ILE . 35.5 m -61.47 -43.64 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 123.602 0.564 . . . . 0.0 111.328 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.2 p -65.14 -44.48 88.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.369 0.667 . . . . 0.0 110.421 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.2 -34.63 78.47 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.3 0.64 . . . . 0.0 111.613 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.405 1.082 . . . . 0.0 109.63 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 16' ' ' VAL . 95.9 mt -60.14 -40.84 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.902 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -69.37 -27.35 65.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.499 0.32 . . . . 0.0 111.074 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . 18.2 mtp180 -69.05 -43.31 74.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.492 0.317 . . . . 0.0 110.711 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 109' ' ' LEU . 5.7 m -72.06 -37.73 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.936 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -69.05 -28.89 66.95 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.361 0.664 . . . . 0.0 110.401 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.4 64.4 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.15 0.58 . . . . 0.0 111.293 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.52 -0.61 54.49 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.706 0.802 . . . . 0.0 111.633 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.33 -11.55 71.44 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.969 -0.35 . . . . 0.0 113.719 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.44 -166.56 23.46 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 122.887 0.28 . . . . 0.0 113.468 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 84.1 t80 -129.06 156.57 43.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.553 1.141 . . . . 0.0 109.544 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.12 160.32 32.85 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.054 0.542 . . . . 0.0 111.814 173.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.25 133.6 1.8 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.052 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.05 109.43 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 122.955 0.502 . . . . 0.0 109.918 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.6 -66.02 0.94 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 110.92 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -100.09 146.78 26.39 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.807 0.443 . . . . 0.0 110.312 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 86.3 tttt -124.44 134.78 52.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.02 . . . . 0.0 109.488 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.95 -127.83 3.07 Favored Glycine 0 N--CA 1.471 0.997 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.7 131.61 34.56 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 117.539 0.67 . . . . 0.0 110.808 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 -46.17 69.8 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -87.26 -58.72 2.48 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.052 0.541 . . . . 0.0 111.904 -174.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.25 5.22 39.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.737 0.815 . . . . 0.0 112.716 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.14 159.2 51.57 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 -171.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.47 159.3 22.93 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 5' ' ' SER . 37.4 mm -137.62 117.88 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 33.0 m-85 -120.63 112.33 18.77 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.708 0.803 . . . . 0.0 109.206 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.41 134.74 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.776 0.83 . . . . 0.0 109.065 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.8 ptp180 -105.76 120.53 41.94 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 54.9 tt0 -88.02 127.51 35.39 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 43.6 ttt85 -106.15 105.96 16.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.36 126.03 31.1 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -7.14 9.48 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.86 -25.83 67.37 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.11 0.964 . . . . 0.0 110.401 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.61 7.25 9.9 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.594 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.91 167.94 10.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.499 0.72 . . . . 0.0 109.086 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 34.1 mt-10 -144.43 155.87 43.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.731 0.812 . . . . 0.0 110.102 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.3 m-20 -124.85 164.73 19.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.457 1.503 . . . . 0.0 108.207 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -135.25 142.3 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 175.503 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.9 m-85 -129.94 155.24 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.457 1.103 . . . . 0.0 108.794 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.71 172.98 29.59 Favored Glycine 0 N--CA 1.465 0.582 0 CA-C-O 119.224 -0.765 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.86 125.02 12.08 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.992 1.795 . . . . 0.0 110.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 C-N-CA 123.582 0.753 . . . . 0.0 111.485 -178.959 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.246 0.897 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.53 112.13 4.52 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.548 170.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -75.57 164.04 26.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.728 0.811 . . . . 0.0 109.57 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.53 177.31 4.96 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 123.756 0.822 . . . . 0.0 110.495 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -142.59 169.4 17.64 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.751 1.22 . . . . 0.0 108.947 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -97.65 108.44 21.15 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.1 mmt180 -68.59 -58.05 4.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.794 0.438 . . . . 0.0 109.925 174.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -126.5 158.29 36.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.659 0.783 . . . . 0.0 109.765 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.3 11.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.867 0.467 . . . . 0.0 111.204 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.99 35.81 92.47 Favored Glycine 0 C--N 1.353 1.505 0 O-C-N 123.934 0.771 . . . . 0.0 112.771 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.74 -167.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.688 1.195 . . . . 0.0 109.649 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.3 173.96 6.24 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.878 0.471 . . . . 0.0 110.668 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.33 -27.8 71.29 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 115.71 -0.677 . . . . 0.0 114.63 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.57 -46.13 84.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -60.02 -40.76 90.4 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.002 0.814 . . . . 0.0 111.052 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 49' ' ' LEU . 47.2 mm -60.1 -56.91 14.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.838 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.68 69.47 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.296 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.85 80.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.5 0.72 . . . . 0.0 111.283 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.42 -39.46 24.9 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 121.872 0.069 . . . . 0.0 110.942 176.054 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.08 -28.33 64.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.991 0.517 . . . . 0.0 110.281 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.99 -43.28 88.26 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.624 1.57 . . . . 0.0 111.035 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -71.29 -47.67 55.48 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.051 0.54 . . . . 0.0 109.95 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.47 -37.95 80.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.028 0.931 . . . . 0.0 111.603 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -63.92 -35.67 81.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.226 0.329 . . . . 0.0 111.191 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -61.55 -48.96 78.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.408 0.683 . . . . 0.0 110.244 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -75.66 -46.14 33.07 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.532 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -146.73 93.04 2.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.701 0.8 . . . . 0.0 110.57 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -74.77 -1.37 21.75 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.128 0.971 . . . . 0.0 112.016 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.14 -1.96 16.88 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.265 0.626 . . . . 0.0 112.37 177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.64 149.33 49.26 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.323 0.582 . . . . 0.0 110.565 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.425 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 12.4 m95 -101.92 159.28 15.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -130.28 126.13 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.22 123.8 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 13.9 pt-20 -87.48 111.82 21.57 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.4 pt -105.68 128.71 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 3.4 tm-20 -110.43 103.39 12.01 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -159.38 162.43 35.83 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.378 0.671 . . . . 0.0 110.149 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -83.91 -46.01 12.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.163 0.985 . . . . 0.0 109.942 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.86 155.7 18.41 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.419 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -123.51 -37.43 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.1 0.56 . . . . 0.0 111.424 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.36 -34.59 89.78 Favored Glycine 0 C--N 1.35 1.348 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -166.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -72.67 -32.98 66.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.437 0.695 . . . . 0.0 111.731 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -111.22 -0.94 16.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.403 0.681 . . . . 0.0 112.618 -168.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 106' ' ' ILE . 56.7 tp -171.87 117.21 0.39 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 109.213 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.8 m -89.64 137.9 31.94 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.433 0.693 . . . . 0.0 110.666 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.19 148.65 52.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.75 1.22 . . . . 0.0 110.53 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.4 -30.19 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.134 0.974 . . . . 0.0 109.891 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.86 -57.7 4.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.077 0.951 . . . . 0.0 110.028 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 CA--C 1.548 0.866 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.364 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.52 -179.44 7.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.982 0.913 . . . . 0.0 111.09 -177.381 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 50.7 mtmt -66.78 163.75 18.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.775 0.43 . . . . 0.0 110.984 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -64.35 -40.88 96.73 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.386 1.075 . . . . 0.0 110.233 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.24 -50.58 72.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.441 1.096 . . . . 0.0 110.49 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.8 tpt -67.8 -26.51 66.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.426 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.57 -47.73 74.79 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.392 0.677 . . . . 0.0 109.643 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.34 -53.48 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 124.127 0.892 . . . . 0.0 111.043 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -58.75 -41.65 87.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.886 -176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.17 -41.46 81.48 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.485 0.49 . . . . 0.0 110.952 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.41 -43.09 97.05 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.336 1.054 . . . . 0.0 110.387 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -58.84 -45.72 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.159 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 2.1 mpt_? -72.66 -23.76 60.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.759 0.423 . . . . 0.0 111.551 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.3 mtp180 -65.58 -44.95 85.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.804 0.442 . . . . 0.0 110.635 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 109' ' ' LEU . 3.9 m -72.97 -35.08 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -70.97 -29.01 64.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.003 0.521 . . . . 0.0 110.551 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.36 83.45 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.937 0.495 . . . . 0.0 110.572 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.01 -25.51 59.93 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.656 0.782 . . . . 0.0 111.419 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.42 -3.14 29.48 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 123.344 0.497 . . . . 0.0 113.382 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.11 -150.6 4.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.381 0.515 . . . . 0.0 114.384 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.0 t80 -140.6 156.63 46.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.353 1.061 . . . . 0.0 109.741 -174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.56 159.26 30.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.631 0.772 . . . . 0.0 110.869 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 121.6 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.315 1.01 . . . . 0.0 110.016 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.37 107.94 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.337 0.589 . . . . 0.0 110.59 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -81.01 -64.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.141 0.976 . . . . 0.0 111.349 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -91.88 146.78 23.48 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.81 0.444 . . . . 0.0 109.85 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -134.59 130.97 37.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.882 0.873 . . . . 0.0 110.215 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.32 -128.51 2.84 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 123.314 0.384 . . . . 0.0 112.879 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.81 140.47 34.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.281 0.632 . . . . 0.0 111.662 -172.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 32.5 mt-10 -75.6 -53.51 8.48 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.34 -35.76 12.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.65 1.7 21.45 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.21 147.93 46.72 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -169.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.56 156.28 32.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 167.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 5' ' ' SER . 29.9 mm -137.77 117.26 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 56.9 m-85 -118.71 111.87 19.05 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.531 0.682 . . . . 0.0 109.629 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.79 131.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.217 1.007 . . . . 0.0 108.962 -172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.515 HH21 ' HG2' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -113.5 115.06 27.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.129 0.572 . . . . 0.0 109.801 -179.225 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 41.0 tt0 -95.29 119.71 34.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.096 0.559 . . . . 0.0 111.226 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -86.43 118.61 25.97 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.445 0.698 . . . . 0.0 110.106 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.7 mm? -73.53 149.7 42.04 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 168.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.86 -12.27 60.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.553 0.741 . . . . 0.0 111.264 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.21 -20.4 63.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 27.68 8.02 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.071 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HB2' HD23 ' A' ' 42' ' ' LEU . 19.7 mmt180 -121.32 174.33 6.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.364 1.066 . . . . 0.0 110.031 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' HH21 ' A' ' 39' ' ' ARG . 17.0 mp0 -132.66 164.81 25.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.088 0.955 . . . . 0.0 110.347 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 28.5 m-80 -130.41 173.35 10.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.166 1.386 . . . . 0.0 107.574 172.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -147.17 141.09 25.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.425 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.2 m-85 -131.23 152.81 50.14 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.445 1.098 . . . . 0.0 108.769 -176.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.43 162.51 29.3 Favored Glycine 0 C--N 1.335 0.483 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.768 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.58 124.22 13.35 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 111.384 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 123.211 0.604 . . . . 0.0 110.351 179.616 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.326 0.584 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -63.21 97.81 0.13 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.107 165.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -79.88 150.58 30.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.607 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.5 m-85 -101.49 173.41 6.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.228 0.537 . . . . 0.0 111.621 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -138.14 169.45 17.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 108.568 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.459 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 26.1 m -100.47 113.14 25.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 mmt180 -70.87 -59.53 2.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.447 0.699 . . . . 0.0 109.838 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 mt -126.62 160.48 30.56 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.989 0.915 . . . . 0.0 109.359 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.37 134.94 11.6 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.263 0.483 . . . . 0.0 111.648 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.18 26.67 66.25 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.811 0.694 . . . . 0.0 113.775 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.38 -169.47 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.073 0.949 . . . . 0.0 110.111 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.3 pt-20 -103.58 161.49 13.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.353 0.661 . . . . 0.0 110.52 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -21.92 63.64 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 115.723 -0.672 . . . . 0.0 114.232 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.99 -38.57 79.37 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.007 0.523 . . . . 0.0 110.466 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 38.3 mm-40 -67.62 -35.52 79.09 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.04 0.536 . . . . 0.0 110.858 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.7 mm -61.7 -55.88 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.492 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.36 70.42 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.973 0.509 . . . . 0.0 111.622 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.01 81.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.528 0.731 . . . . 0.0 111.856 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 49' ' ' LEU . 1.4 tp -82.7 -43.57 16.71 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.9 -34.86 63.53 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.368 0.667 . . . . 0.0 111.504 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.53 -33.52 75.22 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.762 0.664 . . . . 0.0 110.684 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -73.77 -53.77 9.54 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.332 0.653 . . . . 0.0 109.584 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.38 -33.86 76.45 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.599 -175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' A' ' 96' ' ' LEU . 46.3 ptt85 -72.22 -29.95 64.45 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 123.542 0.526 . . . . 0.0 111.799 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -63.02 -42.34 99.77 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.797 0.439 . . . . 0.0 110.359 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -82.7 -42.21 18.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.612 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 96' ' ' LEU . 19.2 m-20 -137.78 88.39 2.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.785 0.834 . . . . 0.0 109.439 -176.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -72.62 -11.61 60.71 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.718 0.807 . . . . 0.0 112.166 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.1 10.85 3.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.367 1.067 . . . . 0.0 112.302 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -72.87 145.21 47.06 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.942 0.401 . . . . 0.0 110.402 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -104.07 125.78 50.68 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 84.0 t -101.18 114.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.96 113.69 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -90.41 108.09 19.56 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.413 0.625 . . . . 0.0 109.882 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 40' ' ' GLN . 48.1 pt -104.76 135.92 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 34.4 tt0 -106.4 117.94 35.35 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.4 t -169.4 164.09 10.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.055 0.942 . . . . 0.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.32 -38.16 10.65 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.886 0.875 . . . . 0.0 109.971 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -101.72 136.54 41.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.588 1.155 . . . . 0.0 109.705 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -106.17 -36.79 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 122.545 0.338 . . . . 0.0 111.468 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.8 -31.05 76.81 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 123.442 0.464 . . . . 0.0 114.035 -168.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -78.07 -21.15 51.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.119 0.568 . . . . 0.0 112.529 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.558 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -128.05 4.03 5.88 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.374 0.67 . . . . 0.0 112.545 -169.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 106' ' ' ILE . 52.5 tp -167.33 132.21 1.97 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.199 0.999 . . . . 0.0 109.042 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -89.93 133.79 34.58 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.71 0.804 . . . . 0.0 110.644 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.438 HD11 HG12 ' A' ' 106' ' ' ILE . 20.7 mt -134.31 155.06 50.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.003 0.921 . . . . 0.0 110.23 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.05 -17.16 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.359 1.063 . . . . 0.0 110.018 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -86.58 -63.94 1.23 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.72 0.808 . . . . 0.0 111.094 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.459 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 31.0 mm-40 . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 122.789 0.436 . . . . 0.0 111.239 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.545 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -158.65 -174.56 4.84 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.07 0.948 . . . . 0.0 109.829 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mttt -67.07 161.52 24.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.144 0.577 . . . . 0.0 111.735 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 36' ' ' ILE . 4.6 m -56.47 -45.65 80.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 109.797 164.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -57.12 -46.48 82.6 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 126.169 1.787 . . . . 0.0 112.316 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.545 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.2 tpt -77.04 -26.83 54.1 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -72.65 -47.53 46.83 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.84 -39.58 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 123.703 0.627 . . . . 0.0 110.692 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -63.66 -51.11 66.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.705 0.628 . . . . 0.0 109.69 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.27 -34.61 73.98 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.677 0.791 . . . . 0.0 111.93 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.13 -40.89 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.74 1.216 . . . . 0.0 109.898 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 16' ' ' VAL . 96.6 mt -60.59 -44.56 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.076 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -73.08 -24.49 60.67 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 122.155 -0.34 . . . . 0.0 110.786 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 27.1 mtp180 -62.03 -45.7 92.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.714 0.406 . . . . 0.0 110.314 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 109' ' ' LEU . 4.2 m -73.36 -38.12 52.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -176.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -68.33 -28.61 67.3 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.938 0.495 . . . . 0.0 110.78 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.13 63.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.168 0.587 . . . . 0.0 111.38 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 -21.06 18.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.573 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.38 2.8 31.15 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-O 119.968 -0.351 . . . . 0.0 113.818 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 -174.4 47.31 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.397 0.522 . . . . 0.0 113.603 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -117.29 156.75 27.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.704 1.202 . . . . 0.0 109.823 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -161.81 157.41 24.08 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.413 0.685 . . . . 0.0 111.788 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.38 132.64 2.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.748 0.819 . . . . 0.0 110.829 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 13' ' ' ILE . 52.9 t -75.35 101.77 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.482 0.713 . . . . 0.0 110.454 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -74.21 -59.05 2.9 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.74 0.816 . . . . 0.0 110.896 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -109.59 147.81 32.37 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.382 0.673 . . . . 0.0 110.066 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.58 122.94 21.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.027 0.931 . . . . 0.0 110.771 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.4 -134.7 6.06 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.575 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 130.97 42.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.469 0.708 . . . . 0.0 110.435 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 46.6 mt-10 -56.96 -50.91 71.21 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.76 -48.66 5.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.09 2.93 35.4 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 144.98 44.97 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 123.363 0.414 . . . . 0.0 114.022 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.47 157.47 35.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.373 0.669 . . . . 0.0 110.19 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 5' ' ' SER . 9.4 mm -127.39 137.98 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 59.2 m-85 -133.57 112.96 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.379 1.071 . . . . 0.0 108.977 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.85 129.79 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.9 0.88 . . . . 0.0 109.316 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -106.71 126.45 52.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.513 ' OE1' ' HB ' ' A' ' 106' ' ' ILE . 37.6 tt0 -98.59 115.07 27.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.553 0.341 . . . . 0.0 110.204 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -88.8 113.82 24.76 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.79 157.58 34.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.233 1.013 . . . . 0.0 110.945 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -14.85 62.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.346 0.659 . . . . 0.0 111.846 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.14 -16.83 64.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 0.0 111.705 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 31.99 25.74 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -124.67 170.75 10.67 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 109.253 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -135.69 158.65 43.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.066 0.946 . . . . 0.0 110.184 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 14.8 m120 -113.82 174.72 5.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.996 1.319 . . . . 0.0 108.238 169.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 82' ' ' ILE . 13.7 tp -142.85 137.36 29.54 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 170.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 50.8 m-85 -132.13 117.19 17.97 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.72 179.55 21.32 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.407 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 5.1 Cg_exo -72.69 111.1 3.16 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.441 2.094 . . . . 0.0 109.314 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 O-C-N 124.059 0.849 . . . . 0.0 112.062 -177.39 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -84.75 123.0 29.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.371 0.669 . . . . 0.0 110.275 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.94 153.35 18.26 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.413 ' HB2' HD23 ' A' ' 112' ' ' LEU . 4.0 m-85 -100.31 173.79 6.43 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.618 0.367 . . . . 0.0 110.944 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 16.1 pt-20 -135.68 149.62 49.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.478 1.111 . . . . 0.0 108.444 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -83.07 101.32 11.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -76.24 -48.76 19.15 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.787 0.835 . . . . 0.0 109.687 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -134.53 156.7 48.18 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.625 1.17 . . . . 0.0 108.812 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.91 127.67 7.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.175 0.59 . . . . 0.0 110.657 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.46 26.25 71.74 Favored Glycine 0 C--N 1.352 1.446 0 O-C-N 123.887 0.742 . . . . 0.0 113.897 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.04 -167.56 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.174 0.989 . . . . 0.0 109.448 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 1.8 pm0 -105.8 160.45 15.23 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.277 0.631 . . . . 0.0 110.456 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.13 -16.54 60.12 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.939 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.19 -41.75 89.8 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.793 0.837 . . . . 0.0 110.452 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 35.8 mm-40 -71.17 -37.39 72.17 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.552 0.741 . . . . 0.0 111.16 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 49' ' ' LEU . 37.3 mm -61.1 -53.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.32 72.47 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.059 0.944 . . . . 0.0 111.856 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.62 88.63 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.871 0.732 . . . . 0.0 111.529 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.61 -44.25 17.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 123.16 0.287 . . . . 0.0 111.23 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.0 mt -53.45 -33.67 55.03 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.125 0.57 . . . . 0.0 111.654 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.38 -32.53 64.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.793 0.683 . . . . 0.0 110.585 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.31 -48.33 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.428 0.632 . . . . 0.0 109.516 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.22 -51.39 63.92 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.65 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ptt85 -59.0 -29.78 67.49 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.85 -45.17 93.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.785 0.834 . . . . 0.0 111.025 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -87.82 -44.0 11.43 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.097 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.75 102.25 6.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.934 1.294 . . . . 0.0 109.242 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.8 t -70.73 -17.42 62.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.405 1.082 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -76.31 0.05 20.76 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.42 159.39 29.47 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.724 0.773 . . . . 0.0 112.019 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.85 148.18 42.36 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.439 1.495 . . . . 0.0 108.281 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 90.9 t -122.94 126.52 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.17 117.0 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.1 pt-20 -87.98 112.21 22.34 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 23' ' ' ALA . 31.8 pt -102.8 159.84 4.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -138.86 118.38 12.94 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.5 t -172.4 165.55 5.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.972 0.909 . . . . 0.0 108.921 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.27 -31.22 17.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.483 0.713 . . . . 0.0 110.786 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -123.93 133.94 53.62 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.718 0.807 . . . . 0.0 110.68 -174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.513 ' HB ' ' OE1' ' A' ' 40' ' ' GLN . 9.8 tp -95.04 -34.53 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.723 0.809 . . . . 0.0 111.075 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.93 -21.2 63.19 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 -164.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -86.01 -34.74 20.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 117.124 0.462 . . . . 0.0 111.448 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.532 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -112.47 3.21 16.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.607 0.763 . . . . 0.0 112.801 -167.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 tp -168.04 146.48 4.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.9 0.88 . . . . 0.0 109.305 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.4 m -103.59 134.38 47.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.098 0.559 . . . . 0.0 111.341 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLN . 33.8 mt -121.69 157.65 30.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.022 0.929 . . . . 0.0 110.104 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.0 m -91.8 -12.71 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.74 0.816 . . . . 0.0 110.004 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -95.64 -76.55 0.5 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.221 0.608 . . . . 0.0 110.656 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.531 ' HB2' HD12 ' A' ' 112' ' ' LEU . 27.6 mm-40 . . . . . 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 0.0 111.713 -177.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 81.3 mtm180 . . . . . 0 CA--C 1.542 0.671 0 CA-C-O 121.565 0.698 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -146.62 173.51 12.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.787 1.235 . . . . 0.0 109.594 -175.595 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.5 ptpp? -80.08 173.07 12.97 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.384 0.428 . . . . 0.0 110.38 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.612 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.7 m -58.18 -45.22 87.89 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.095 0.958 . . . . 0.0 111.756 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.59 -50.09 75.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.91 1.284 . . . . 0.0 111.235 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.416 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.8 tpt -74.18 -23.86 59.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.83 -174.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.08 -46.05 79.07 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.4 -40.75 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.584 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 26.0 t -58.48 -41.25 84.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.165 0.586 . . . . 0.0 110.124 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.66 -35.38 67.71 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.914 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.181 0.992 . . . . 0.0 111.091 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.72 -46.46 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 10' ' ' SER . 3.7 mpt_? -69.84 -29.6 66.9 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.269 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 77.4 mtt180 -61.5 -48.36 81.41 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.176 0.59 . . . . 0.0 110.558 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 109' ' ' LEU . 4.3 m -73.06 -37.37 53.06 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.075 -174.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -68.17 -30.09 69.12 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.72 0.408 . . . . 0.0 110.695 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.49 76.02 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.924 0.49 . . . . 0.0 110.277 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.17 53.35 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.085 0.954 . . . . 0.0 112.1 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.72 -8.74 47.19 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.9 -0.389 . . . . 0.0 113.677 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.49 -173.04 41.82 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 123.523 0.19 . . . . 0.0 113.322 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 88.9 t80 -119.81 157.43 28.67 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.445 1.098 . . . . 0.0 108.921 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.33 158.4 35.93 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.089 0.555 . . . . 0.0 111.066 173.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.27 134.2 2.83 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.304 1.003 . . . . 0.0 109.829 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -78.95 98.93 2.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.996 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -70.22 -59.45 2.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.38 0.672 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -111.75 145.82 38.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.549 0.74 . . . . 0.0 109.55 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -119.91 139.21 52.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.498 1.119 . . . . 0.0 108.912 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.29 -137.31 4.26 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-O 119.811 -0.439 . . . . 0.0 112.056 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.87 129.54 37.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.303 0.641 . . . . 0.0 110.074 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.96 -41.02 52.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.872 0.469 . . . . 0.0 111.972 -169.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -84.23 -50.39 7.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.789 0.436 . . . . 0.0 111.86 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.49 14.45 13.66 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.46 150.76 43.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 113.831 0.292 . . . . 0.0 113.831 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.23 157.65 37.32 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 171.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -136.74 106.31 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 68.3 m-85 -109.07 112.42 24.59 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 109.559 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -107.35 126.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 124.704 1.201 . . . . 0.0 108.728 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 4.2 ptm180 -107.83 108.23 19.33 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.984 0.914 . . . . 0.0 108.732 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.0 tt0 -82.85 110.03 17.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.493 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 42.2 ttm180 -76.72 102.65 6.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.372 0.669 . . . . 0.0 109.469 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.06 144.71 56.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.471 0.709 . . . . 0.0 109.761 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.8 -17.24 64.49 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.122 0.569 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.17 -13.61 60.47 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.632 0.773 . . . . 0.0 111.727 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.17 14.14 46.4 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -101.32 179.52 4.34 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.524 0.729 . . . . 0.0 109.158 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 26.3 mt-10 -146.08 144.33 29.96 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.433 0.635 . . . . 0.0 110.971 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -112.88 161.39 17.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.58 1.152 . . . . 0.0 107.893 169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -129.41 141.67 50.99 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 175.235 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 73.2 m-85 -131.24 146.68 52.41 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.79 1.236 . . . . 0.0 108.76 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.77 165.22 27.29 Favored Glycine 0 N--CA 1.464 0.526 0 CA-C-O 119.288 -0.729 . . . . 0.0 111.651 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 108.82 2.1 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.574 2.183 . . . . 0.0 111.222 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 C-N-CA 123.583 0.753 . . . . 0.0 110.961 179.642 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.24 121.49 16.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 109.919 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -72.46 167.29 20.89 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.327 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 173.9 6.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.163 0.585 . . . . 0.0 110.852 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.91 160.08 41.89 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 109.49 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.7 m -92.4 105.52 17.69 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.191 0.596 . . . . 0.0 109.525 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 30.1 mmm180 -74.85 -63.57 1.23 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.586 0.754 . . . . 0.0 109.853 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -114.11 160.2 19.19 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.43 0.692 . . . . 0.0 109.493 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.35 121.42 6.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.641 0.376 . . . . 0.0 111.386 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.95 26.61 72.19 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.548 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.36 -168.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.442 1.097 . . . . 0.0 110.182 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.6 170.59 7.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.16 0.584 . . . . 0.0 110.875 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -18.33 63.79 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.979 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.58 -42.06 74.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.637 0.775 . . . . 0.0 110.32 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.77 -36.9 73.28 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.621 0.769 . . . . 0.0 110.729 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.0 mm -61.37 -56.26 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.704 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.87 70.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 0.0 111.346 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -59.24 -44.71 92.34 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.883 0.739 . . . . 0.0 110.813 176.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.438 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.62 -41.26 32.06 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.235 0.335 . . . . 0.0 111.252 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.59 -33.82 64.28 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.176 0.59 . . . . 0.0 111.103 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.99 56.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.274 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 28.9 mtp180 -74.4 -39.36 62.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.807 0.443 . . . . 0.0 110.133 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -75.22 -38.8 60.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -65.6 -28.74 69.35 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.357 0.411 . . . . 0.0 111.4 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -60.25 -43.08 96.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.932 0.893 . . . . 0.0 111.034 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -82.4 -53.98 5.58 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.14 100.61 5.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.015 0.926 . . . . 0.0 109.666 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -74.31 -1.99 23.19 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.378 0.671 . . . . 0.0 110.442 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.9 4.49 5.25 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.442 1.497 . . . . 0.0 112.452 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -78.61 150.61 32.66 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 118.237 0.471 . . . . 0.0 110.417 176.247 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -105.82 126.07 51.73 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.67 118.21 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.73 117.42 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.9 pt-20 -86.96 122.86 31.4 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 173.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 23' ' ' ALA . 45.5 pt -118.8 120.85 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.81 101.73 13.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.1 t -157.23 157.91 35.17 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.527 0.679 . . . . 0.0 111.098 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.67 -29.03 40.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.817 1.247 . . . . 0.0 111.664 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.79 -175.67 3.8 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.573 0.749 . . . . 0.0 110.549 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tp -132.75 -23.06 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.667 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.78 -34.42 82.9 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -162.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -83.99 -17.09 41.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.945 0.498 . . . . 0.0 112.327 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD13 HG12 ' A' ' 16' ' ' VAL . 3.1 pp -127.31 4.71 6.32 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -166.118 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.8 tp -167.29 131.72 1.91 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.031 0.932 . . . . 0.0 109.127 172.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -92.11 130.99 37.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.466 0.706 . . . . 0.0 110.361 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.7 158.7 37.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.977 0.911 . . . . 0.0 110.481 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.15 -27.27 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.131 0.972 . . . . 0.0 109.753 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.69 -67.3 0.68 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 110.505 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 CA--C 1.547 0.85 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.822 179.667 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.415 0.626 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -89.64 170.64 10.29 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.502 -176.663 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 16.4 ptpt -78.63 178.77 7.57 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.394 0.678 . . . . 0.0 111.564 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -56.73 -53.85 52.97 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.383 1.073 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.08 -54.49 46.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.931 1.292 . . . . 0.0 111.084 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 3' ' ' LEU . 7.5 tpt -66.37 -27.56 67.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.751 -175.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.47 -48.81 66.08 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.74 -48.44 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 0.0 111.44 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 45.9 m -57.92 -41.84 83.54 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.525 0.73 . . . . 0.0 111.019 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.92 -33.88 66.23 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.666 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.5 -41.45 93.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.111 1.364 . . . . 0.0 110.771 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 84.0 mt -65.43 -35.57 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.235 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.7 mpt_? -74.47 -29.06 61.3 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.172 0.589 . . . . 0.0 111.386 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 50.1 mtt180 -61.87 -43.4 98.91 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.326 0.65 . . . . 0.0 111.305 177.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 4.5 m -72.33 -36.63 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.91 -176.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.76 -29.66 68.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.789 0.436 . . . . 0.0 110.063 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.1 77.37 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.554 0.534 . . . . 0.0 110.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -9.79 58.71 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.687 0.795 . . . . 0.0 111.854 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.02 -9.93 65.73 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.946 -0.363 . . . . 0.0 113.421 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.24 -176.99 50.52 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.584 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.5 t80 -112.82 153.83 27.23 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.832 0.853 . . . . 0.0 110.47 -173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.08 163.9 31.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 111.749 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 135.77 0.24 Allowed 'General case' 0 C--N 1.35 0.605 0 O-C-N 125.005 1.44 . . . . 0.0 108.81 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.89 119.77 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.187 0.518 . . . . 0.0 110.09 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -80.93 -66.08 0.93 Allowed 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.334 1.054 . . . . 0.0 110.503 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -99.64 142.86 30.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 110.648 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -120.53 132.72 55.31 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.318 1.047 . . . . 0.0 109.449 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.01 -134.02 4.2 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-O 119.917 -0.38 . . . . 0.0 112.54 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.66 132.84 35.31 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.381 0.672 . . . . 0.0 110.613 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -69.37 -41.23 76.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.605 0.762 . . . . 0.0 112.703 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -90.92 -55.67 3.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.099 0.56 . . . . 0.0 112.098 -173.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.36 20.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.775 0.83 . . . . 0.0 112.736 -168.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.67 150.81 49.92 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.001 0.188 . . . . 0.0 113.507 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 162.87 28.43 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 5' ' ' SER . 15.3 mm -137.76 105.08 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 96' ' ' LEU . 52.0 m-85 -107.67 113.35 26.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.408 0.623 . . . . 0.0 109.654 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.35 130.06 61.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 C-N-CA 124.2 1.0 . . . . 0.0 109.099 -172.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 7.1 ptp180 -106.0 128.23 53.69 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.74 120.04 41.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 109.884 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 29.3 ttp180 -80.88 113.86 19.38 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.94 155.54 32.67 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.504 0.722 . . . . 0.0 109.818 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -68.64 -17.98 64.2 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.023 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -64.42 -21.68 66.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 111.809 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.82 -15.37 44.75 Favored Glycine 0 C--N 1.343 0.947 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -83.74 178.54 7.89 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.913 0.885 . . . . 0.0 111.478 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 40.0 mt-10 -142.75 146.14 34.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.468 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.58 164.28 11.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.611 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -131.64 141.08 49.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 173.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 56.0 m-85 -127.19 153.38 46.14 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 124.422 1.089 . . . . 0.0 108.488 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.37 166.05 30.04 Favored Glycine 0 N--CA 1.459 0.206 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 112.53 3.06 Favored 'Trans proline' 0 C--N 1.364 1.369 0 C-N-CA 121.922 1.748 . . . . 0.0 110.531 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.042 176.327 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.242 0.685 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -66.84 123.45 20.2 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.974 0.796 . . . . 0.0 109.659 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -94.41 154.77 17.29 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -101.1 175.99 5.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.437 0.695 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -144.59 160.67 40.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.912 1.285 . . . . 0.0 108.781 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.1 m -93.96 100.9 12.97 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.51 -54.08 19.13 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.532 0.733 . . . . 0.0 110.523 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -121.23 155.86 33.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 0.0 109.374 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.38 123.92 12.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.563 0.345 . . . . 0.0 111.006 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.19 30.19 77.21 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.987 0.805 . . . . 0.0 114.008 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.55 159.08 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.881 0.873 . . . . 0.0 110.145 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 13.4 pt-20 -72.02 166.26 22.59 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.124 0.569 . . . . 0.0 111.288 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -20.95 65.81 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.237 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 15.8 tp10 -57.96 -48.63 79.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.064 0.945 . . . . 0.0 110.066 172.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.5 -34.76 72.71 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.651 0.78 . . . . 0.0 111.895 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.9 mm -65.06 -52.56 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 122.868 0.467 . . . . 0.0 110.003 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -29.36 69.86 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.358 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -61.59 -39.26 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.746 0.654 . . . . 0.0 111.09 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -80.94 -43.83 19.16 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 123.061 0.226 . . . . 0.0 111.512 176.416 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.53 -28.07 65.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.899 0.479 . . . . 0.0 111.319 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -36.07 64.9 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.654 0.596 . . . . 0.0 109.996 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 75.0 mtp180 -74.48 -35.82 63.27 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.223 0.609 . . . . 0.0 110.969 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -74.18 -44.86 51.82 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.243 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -65.06 -29.03 69.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.402 0.439 . . . . 0.0 111.614 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.31 -48.15 79.28 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.692 0.797 . . . . 0.0 110.488 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -86.16 -20.36 28.72 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.49 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -166.43 101.79 0.61 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.142 0.977 . . . . 0.0 108.575 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 t -77.31 -1.88 32.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.662 . . . . 0.0 111.656 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.03 14.8 11.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.094 0.558 . . . . 0.0 112.421 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 37' ' ' PHE . 2.6 pt? -77.12 151.61 35.3 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 166.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -105.94 124.26 49.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 86.1 t -98.21 116.12 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.83 119.47 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.7 pt-20 -87.22 107.9 18.69 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.72 157.63 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 169.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 1.5 tm-20 -142.48 107.57 4.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -171.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -172.35 164.52 5.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.729 0.812 . . . . 0.0 109.816 -172.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -92.63 -29.34 16.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.794 0.838 . . . . 0.0 111.029 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.15 148.91 39.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 110.203 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 112' ' ' LEU . 9.8 tp -114.58 -35.16 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.02 -29.49 74.51 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -80.44 -10.93 59.74 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.71 0.804 . . . . 0.0 112.477 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 16' ' ' VAL . 2.5 pp -138.19 -0.64 2.02 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -171.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 106' ' ' ILE . 56.5 tp -163.67 138.81 6.25 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.228 1.011 . . . . 0.0 108.989 174.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -99.94 132.36 45.34 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.645 0.778 . . . . 0.0 111.088 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD11 HG12 ' A' ' 106' ' ' ILE . 21.8 mt -130.18 147.98 51.97 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.854 0.862 . . . . 0.0 111.117 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 22.7 m -81.11 -26.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.199 1.0 . . . . 0.0 109.828 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -82.91 -67.14 0.81 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.984 0.914 . . . . 0.0 110.666 -171.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 122.87 0.468 . . . . 0.0 110.359 174.154 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.83 0.824 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.43 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -140.57 178.31 7.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.976 -172.537 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.6 mtmm -80.39 168.34 19.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.047 0.539 . . . . 0.0 111.39 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' ILE . 15.8 m -60.59 -44.42 96.25 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.418 1.087 . . . . 0.0 111.694 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.39 -35.31 80.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpt -75.25 -28.45 59.86 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.523 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 3' ' ' LEU . 72.0 t80 -75.76 -48.29 22.4 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.722 0.409 . . . . 0.0 109.963 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -60.37 -43.64 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.644 0.59 . . . . 0.0 110.414 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 45.1 t -59.68 -47.45 85.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.921 0.763 . . . . 0.0 110.246 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.08 -34.98 79.71 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.838 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.65 -40.35 88.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 109.689 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.532 HD11 HG23 ' A' ' 25' ' ' VAL . 83.8 mt -63.23 -33.66 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.667 177.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' SER . 17.8 mmt180 -71.06 -34.13 70.93 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.066 -0.396 . . . . 0.0 110.161 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 92.6 mtt180 -64.68 -43.03 94.84 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.681 0.613 . . . . 0.0 110.624 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -73.27 -39.85 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.878 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.52 -32.45 71.3 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.25 77.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.03 0.532 . . . . 0.0 111.068 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.19 -24.84 54.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.684 0.793 . . . . 0.0 111.457 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.8 -8.48 23.7 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 123.287 0.47 . . . . 0.0 113.332 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.75 -166.3 35.03 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.349 0.5 . . . . 0.0 113.381 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -128.24 158.23 38.71 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.348 1.059 . . . . 0.0 108.949 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 160.0 38.53 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.637 0.775 . . . . 0.0 110.367 173.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.5 125.78 1.05 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.4 1.063 . . . . 0.0 109.292 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 13' ' ' ILE . 85.2 t -73.1 104.61 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.46 -66.38 0.56 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.958 0.503 . . . . 0.0 109.682 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 61.1 tttp -102.33 143.83 31.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.725 0.81 . . . . 0.0 110.438 -175.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -124.96 138.45 54.23 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.997 0.919 . . . . 0.0 109.622 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.6 -132.52 3.37 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.04 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.39 127.31 32.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.688 0.795 . . . . 0.0 111.386 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 52.0 mt-10 -63.67 -40.42 96.77 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.022 0.929 . . . . 0.0 112.683 -173.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.0 -50.73 4.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.57 0.748 . . . . 0.0 112.021 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.82 28.23 8.66 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 0.0 112.332 -168.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.58 140.05 19.29 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 116.686 -0.234 . . . . 0.0 112.631 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -67.58 152.92 44.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.5 mm -124.79 113.92 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.6 m-85 -114.38 112.65 23.38 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.977 0.911 . . . . 0.0 109.877 176.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.17 130.73 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 108.963 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.25 121.64 45.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.015 0.926 . . . . 0.0 108.917 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 3.8 tp60 -92.21 115.49 28.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.729 1.211 . . . . 0.0 110.396 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' A' ' 102' ' ' GLU . 28.1 ttm180 -89.54 100.32 13.15 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.69 145.93 51.96 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -62.96 -15.44 55.89 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.53 -24.68 67.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.059 0.944 . . . . 0.0 111.842 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.16 1.74 56.95 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -169.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -91.78 170.71 9.68 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.95 0.9 . . . . 0.0 109.053 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 35.1 mt-10 -143.15 145.88 33.22 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.224 0.61 . . . . 0.0 110.973 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.581 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.6 m-20 -107.96 170.72 7.82 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.406 1.083 . . . . 0.0 108.333 167.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.9 141.25 34.58 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.161 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 42.4 m-85 -129.58 147.6 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.098 0.959 . . . . 0.0 108.902 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.54 166.83 25.73 Favored Glycine 0 N--CA 1.46 0.259 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.36 118.76 5.87 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 122.488 2.125 . . . . 0.0 110.796 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.058 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--O 1.241 0.657 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -75.61 143.03 42.52 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.994 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.27 161.13 18.15 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 4.1 m-85 -100.2 174.71 6.02 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.242 0.617 . . . . 0.0 110.599 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -138.05 167.53 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.244 1.417 . . . . 0.0 108.346 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -102.54 102.05 12.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 10.8 mmt180 -63.59 -59.71 4.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.569 0.748 . . . . 0.0 109.973 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.1 mt -122.1 155.38 35.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.744 0.817 . . . . 0.0 109.475 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.94 121.41 9.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.561 0.345 . . . . 0.0 111.356 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.05 31.54 72.39 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 123.907 0.754 . . . . 0.0 113.503 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.01 -177.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.495 1.118 . . . . 0.0 109.795 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.0 pt-20 -93.94 167.34 11.67 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.605 0.362 . . . . 0.0 110.097 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -23.64 65.95 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 114.601 0.6 . . . . 0.0 114.601 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.25 -42.54 72.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.858 0.463 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 15.8 mm-40 -61.15 -38.03 84.98 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.982 0.513 . . . . 0.0 110.212 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.537 ' HA ' HD12 ' A' ' 49' ' ' LEU . 50.5 mm -60.38 -57.07 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.275 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -26.99 68.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.653 0.781 . . . . 0.0 111.719 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.42 71.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.651 0.781 . . . . 0.0 111.303 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tt -81.29 -36.48 29.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.086 0.154 . . . . 0.0 110.771 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 95.3 mt -60.11 -27.05 66.71 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.99 0.516 . . . . 0.0 109.964 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.82 -44.9 72.53 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.221 1.409 . . . . 0.0 110.29 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -66.48 -47.52 72.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.682 0.393 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.14 -37.59 78.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.576 0.751 . . . . 0.0 112.102 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -66.01 -28.59 68.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.305 0.378 . . . . 0.0 110.975 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -60.44 -35.18 75.21 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -94.0 -51.6 4.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.857 0.863 . . . . 0.0 110.279 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -120.47 94.03 4.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.909 1.283 . . . . 0.0 109.834 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.3 t -66.81 -15.7 63.77 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 121.231 0.539 . . . . 0.0 109.72 166.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.37 -6.55 36.26 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.074 1.35 . . . . 0.0 112.821 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -73.14 154.93 40.14 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.129 0.49 . . . . 0.0 111.317 -175.397 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -116.98 126.89 53.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.283 1.433 . . . . 0.0 108.297 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 57.8 t -100.45 118.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 173.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 25' ' ' VAL . 18.3 t -111.98 118.92 58.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.461 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.44 127.84 34.53 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 171.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.5 pt -120.28 150.45 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.559 ' HG2' ' HD2' ' A' ' 41' ' ' ARG . 1.3 tm-20 -127.73 103.95 7.58 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.094 -1.446 . . . . 0.0 107.094 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 2.0 t -167.58 159.77 12.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.532 1.133 . . . . 0.0 108.871 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.19 -21.66 29.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.172 0.589 . . . . 0.0 110.8 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.82 142.32 48.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.561 0.744 . . . . 0.0 110.477 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.6 tp -101.9 -29.77 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.718 0.807 . . . . 0.0 110.827 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.0 31.36 2.29 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 115.012 0.765 . . . . 0.0 115.012 -170.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -137.47 -4.46 1.85 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.723 0.809 . . . . 0.0 110.147 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.567 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -143.92 1.74 1.15 Allowed 'General case' 0 C--N 1.363 1.168 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -162.86 142.39 9.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.016 0.927 . . . . 0.0 109.197 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 m -104.82 134.49 47.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.22 1.008 . . . . 0.0 110.746 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.17 156.73 44.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.365 1.066 . . . . 0.0 110.502 -173.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.0 -31.3 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.367 1.067 . . . . 0.0 109.951 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.8 -52.25 11.91 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 123.637 0.775 . . . . 0.0 110.193 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.549 0.926 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.539 173.605 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.0 0.429 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.77 168.24 11.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -174.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.3 ptpp? -72.08 171.92 11.05 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.428 ' HG ' HH12 ' A' ' 68' ' ' ARG . 7.1 m -54.65 -49.13 71.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.292 0.637 . . . . 0.0 112.059 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.03 -55.37 35.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.528 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 tpt -72.39 -24.07 61.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.69 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -71.25 -46.03 61.92 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.68 -47.46 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.889 0.743 . . . . 0.0 109.947 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t -59.34 -37.84 78.87 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.32 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.36 -36.76 63.6 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.319 0.648 . . . . 0.0 111.229 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.91 -38.51 86.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.888 1.275 . . . . 0.0 110.969 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.9 mt -65.54 -35.57 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.586 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -71.81 -32.66 67.82 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.509 0.324 . . . . 0.0 110.529 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 93.8 mtt180 -63.58 -42.95 98.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.367 0.667 . . . . 0.0 110.659 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.7 m -73.63 -43.54 54.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.05 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.93 -35.81 82.37 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.858 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.47 63.14 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.205 0.602 . . . . 0.0 111.634 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.24 -14.61 40.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.455 0.702 . . . . 0.0 111.73 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.04 25.09 7.66 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 122.772 0.225 . . . . 0.0 112.933 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.34 -179.27 16.32 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.798 0.713 . . . . 0.0 112.735 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 87.4 t80 -113.22 158.99 19.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.082 0.953 . . . . 0.0 109.54 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.48 158.39 26.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.194 0.598 . . . . 0.0 111.819 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.91 142.65 2.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.579 1.152 . . . . 0.0 109.28 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -90.94 107.3 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.69 -62.82 1.36 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.408 0.683 . . . . 0.0 111.093 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -109.19 148.15 31.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.003 0.521 . . . . 0.0 110.242 -175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.83 141.35 51.84 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.588 1.155 . . . . 0.0 109.499 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.99 -137.11 4.04 Favored Glycine 0 C--O 1.24 0.524 0 O-C-N 123.525 0.516 . . . . 0.0 111.874 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 127.5 32.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.079 0.551 . . . . 0.0 109.677 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.75 -29.84 62.46 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 123.1 0.56 . . . . 0.0 112.129 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.04 -58.22 2.64 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.128 0.571 . . . . 0.0 111.88 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.02 13.55 14.85 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -169.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.24 148.49 50.86 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 113.572 0.189 . . . . 0.0 113.572 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 162.08 29.93 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mm -135.77 107.45 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.9 m-85 -108.14 112.92 25.68 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.65 136.76 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.7 ptp180 -108.9 117.65 34.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.504 0.722 . . . . 0.0 109.088 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' HG13 ' A' ' 101' ' ' ILE . 41.0 tt0 -87.17 129.81 34.79 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 54.2 ttp180 -104.49 145.13 30.72 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.748 0.419 . . . . 0.0 110.542 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.69 146.96 42.4 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.51 1.124 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HD3' ' H ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -60.48 -21.2 62.12 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.469 1.107 . . . . 0.0 111.583 169.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.65 -15.94 63.68 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.358 1.063 . . . . 0.0 111.48 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.32 -6.33 57.8 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.937 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -92.53 171.58 8.93 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.346 0.658 . . . . 0.0 111.31 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 31.5 mt-10 -149.32 164.62 34.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.785 1.234 . . . . 0.0 110.279 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.8 m-80 -128.52 157.65 40.59 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.955 1.302 . . . . 0.0 107.701 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -126.59 140.25 52.57 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.127 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -128.72 162.04 28.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 108.863 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.83 170.47 33.66 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-O 118.753 -1.026 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.65 117.32 4.52 Favored 'Trans proline' 0 C--N 1.364 1.376 0 CA-C-N 119.932 1.866 . . . . 0.0 110.581 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 123.356 0.662 . . . . 0.0 110.918 177.621 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.24 0.568 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.428 HH12 ' HG ' ' A' ' 5' ' ' SER . 10.1 ptp180 -59.6 132.06 52.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.151 0.98 . . . . 0.0 110.393 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -101.96 148.9 24.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.403 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.8 m-85 -100.44 168.66 9.6 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.213 0.605 . . . . 0.0 110.983 -171.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.15 167.51 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.438 1.495 . . . . 0.0 107.812 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.5 m -103.87 104.47 14.47 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 15.3 mmt180 -66.17 -59.4 3.8 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.785 0.834 . . . . 0.0 110.008 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.27 159.88 30.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.237 1.015 . . . . 0.0 109.253 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.67 133.12 11.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.01 29.54 72.92 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 123.732 0.645 . . . . 0.0 113.752 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -178.34 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.621 1.169 . . . . 0.0 109.331 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.14 167.07 12.62 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.774 -0.579 . . . . 0.0 110.131 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.63 70.89 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.822 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -57.78 -46.27 84.82 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.741 0.816 . . . . 0.0 110.467 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.643 0.777 . . . . 0.0 111.124 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.626 HG23 ' HG ' ' A' ' 49' ' ' LEU . 39.8 mm -62.88 -56.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.94 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -23.68 64.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.579 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.88 87.35 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.562 0.745 . . . . 0.0 111.247 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tp -81.28 -39.91 24.52 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.188 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 49' ' ' LEU . 96.4 mt -57.89 -28.31 64.09 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.015 0.526 . . . . 0.0 111.462 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 90' ' ' ARG . 14.5 tp10 -61.46 -45.83 92.62 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.743 1.617 . . . . 0.0 110.951 169.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 73.6 mtp180 -73.81 -50.8 18.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.002 0.921 . . . . 0.0 111.334 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.47 -37.76 88.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.752 1.221 . . . . 0.0 112.09 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 87' ' ' GLU . 11.4 ptt-85 -65.19 -28.91 69.72 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.704 0.627 . . . . 0.0 111.533 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 69.3 ttt180 -66.19 -44.48 83.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.984 0.514 . . . . 0.0 110.621 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.43 -38.93 74.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.713 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -161.09 102.96 1.27 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.909 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 t -77.47 -3.35 40.02 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.261 1.025 . . . . 0.0 112.665 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -83.43 17.96 1.98 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.05 150.36 30.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.06 0.457 . . . . 0.0 110.243 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -107.32 125.39 51.12 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.02 117.18 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.19 118.33 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.597 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 7.1 pt-20 -85.68 105.31 16.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 172.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 40' ' ' GLN . 32.9 pt -108.14 150.1 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 33.5 tt0 -124.16 121.46 35.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 109' ' ' LEU . 8.9 t -169.93 166.41 9.39 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -102.28 -39.4 7.23 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.97 114.5 27.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.225 0.61 . . . . 0.0 109.907 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.489 HG12 HD11 ' A' ' 112' ' ' LEU . 10.1 tp -91.22 -37.21 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.169 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.77 -15.62 64.73 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -170.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.1 t -86.67 -25.02 25.04 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.779 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -122.84 -12.03 8.08 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.4 tp -153.4 130.28 10.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.017 0.927 . . . . 0.0 108.632 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 m -90.61 132.38 35.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.685 0.394 . . . . 0.0 111.303 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.489 HD11 HG12 ' A' ' 106' ' ' ILE . 28.8 mt -126.83 143.56 51.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.938 0.895 . . . . 0.0 110.647 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.71 -23.33 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.281 1.032 . . . . 0.0 110.227 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.28 -59.61 1.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.333 0.653 . . . . 0.0 111.439 -171.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.485 1.315 0 C-N-CA 123.653 0.781 . . . . 0.0 111.417 179.749 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.558 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -151.02 174.65 12.91 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.8 0.84 . . . . 0.0 111.067 -176.291 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.9 ptpp? -75.71 171.77 13.77 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.846 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.683 ' HB3' HD11 ' A' ' 36' ' ' ILE . 16.2 m -62.55 -44.5 96.18 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.371 1.068 . . . . 0.0 111.705 -175.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.54 -49.39 77.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.562 1.145 . . . . 0.0 111.351 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.558 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.8 tpt -71.7 -23.84 61.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.457 -174.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -72.12 -44.22 63.52 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' SER . 97.9 t -61.55 -49.51 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.774 0.671 . . . . 0.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.1 t -53.15 -49.95 65.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.094 0.871 . . . . 0.0 110.221 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -61.27 -37.22 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.12 -40.59 90.8 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.988 0.915 . . . . 0.0 110.44 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.7 mp -56.34 -47.19 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.3 mpt_? -65.22 -34.28 77.99 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.147 0.579 . . . . 0.0 110.834 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 52.6 mtt180 -61.23 -45.3 95.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.545 0.738 . . . . 0.0 111.211 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -73.02 -36.22 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -69.6 -28.57 66.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.968 0.507 . . . . 0.0 110.905 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.81 69.37 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.218 0.607 . . . . 0.0 110.619 172.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.02 31.05 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.715 0.806 . . . . 0.0 111.156 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.03 -17.39 9.94 Favored Glycine 0 C--N 1.35 1.314 0 C-N-CA 123.359 0.504 . . . . 0.0 113.372 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.07 -175.49 42.36 Favored Glycine 0 C--N 1.348 1.249 0 C-N-CA 123.603 0.621 . . . . 0.0 113.93 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -118.32 154.54 32.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.144 0.978 . . . . 0.0 109.093 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -157.96 164.73 36.54 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.495 0.718 . . . . 0.0 110.866 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 143.38 1.89 Allowed 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.038 0.836 . . . . 0.0 110.324 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.13 105.82 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 122.938 0.495 . . . . 0.0 109.862 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -76.56 -65.43 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.398 0.679 . . . . 0.0 111.085 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 63.8 tttp -102.28 145.93 28.74 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.363 0.665 . . . . 0.0 109.24 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -132.24 126.77 34.26 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.835 0.854 . . . . 0.0 109.705 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.05 -131.42 3.64 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.466 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.87 130.39 35.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.404 0.681 . . . . 0.0 110.62 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.32 -40.96 70.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.089 0.555 . . . . 0.0 112.311 -171.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -95.03 -53.3 3.87 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.3 0.64 . . . . 0.0 111.119 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.88 -8.09 59.28 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.977 0.911 . . . . 0.0 113.396 -168.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.02 155.71 48.18 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.54 18.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.845 0.858 . . . . 0.0 108.984 171.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 5' ' ' SER . 38.3 mm -125.89 124.81 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' HE2' ' HE ' ' A' ' 73' ' ' ARG . 77.4 m-85 -127.13 113.83 16.91 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.471 1.108 . . . . 0.0 108.974 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.63 132.42 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.629 0.772 . . . . 0.0 109.106 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -105.69 146.39 29.83 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.2 tp60 -128.84 146.68 50.86 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.586 1.155 . . . . 0.0 109.677 -169.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -125.64 120.75 31.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.015 0.526 . . . . 0.0 109.689 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.54 152.52 21.06 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.75 0.82 . . . . 0.0 111.047 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.662 HH11 ' HB3' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -51.59 -26.96 9.74 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.062 1.345 . . . . 0.0 113.421 170.875 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.95 -13.45 62.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.279 1.032 . . . . 0.0 112.304 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.44 68.47 Favored Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -171.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -108.82 163.69 13.05 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.833 0.853 . . . . 0.0 109.341 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.14 148.27 41.41 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.896 0.878 . . . . 0.0 109.634 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m-20 -120.06 168.82 10.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.747 0.819 . . . . 0.0 110.419 178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -141.91 141.99 33.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 48.8 m-85 -126.81 155.25 43.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.092 0.957 . . . . 0.0 109.362 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.08 168.45 29.49 Favored Glycine 0 N--CA 1.463 0.459 0 CA-C-O 119.132 -0.816 . . . . 0.0 111.744 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.59 112.22 3.17 Favored 'Trans proline' 0 C--N 1.365 1.421 0 C-N-CA 122.18 1.92 . . . . 0.0 110.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 C-N-CA 122.804 0.442 . . . . 0.0 110.913 -177.049 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -54.74 119.35 5.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.154 0.982 . . . . 0.0 110.567 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -83.73 157.45 22.14 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -99.61 173.82 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 110.399 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.64 168.04 19.0 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 125.076 1.35 . . . . 0.0 107.776 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -100.18 106.09 17.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.3 mmt180 -63.47 -57.56 9.83 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.852 0.861 . . . . 0.0 110.145 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.9 mt -126.01 151.92 46.44 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.432 0.693 . . . . 0.0 109.73 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.58 138.34 15.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.111 0.564 . . . . 0.0 110.56 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.74 25.91 72.99 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.847 0.717 . . . . 0.0 113.279 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.69 -169.95 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.833 0.853 . . . . 0.0 109.661 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.0 pt-20 -111.47 170.81 7.87 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.24 0.616 . . . . 0.0 110.428 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.06 -22.35 66.76 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 123.74 0.65 . . . . 0.0 113.979 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.63 -39.66 84.66 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.972 0.509 . . . . 0.0 109.981 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 9.5 mm-40 -69.44 -37.72 77.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.31 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.3 mm -58.85 -56.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.988 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.62 69.4 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.26 0.624 . . . . 0.0 111.597 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.12 99.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.112 0.565 . . . . 0.0 111.193 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.412 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -80.9 -35.78 32.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.335 -179.291 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.6 -30.04 64.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.788 0.435 . . . . 0.0 110.783 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.48 -44.3 71.44 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.051 1.34 . . . . 0.0 110.395 172.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.35 -41.4 80.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.366 0.667 . . . . 0.0 111.715 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.45 -37.16 57.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.605 0.762 . . . . 0.0 111.042 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -64.32 -28.6 69.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 123.422 0.451 . . . . 0.0 111.5 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.56 -35.92 79.14 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.365 0.666 . . . . 0.0 110.478 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -92.75 -30.49 15.49 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.511 0.724 . . . . 0.0 111.301 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -144.38 80.54 1.64 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.587 1.155 . . . . 0.0 109.062 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -69.15 -15.99 63.54 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.199 0.6 . . . . 0.0 110.819 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.47 17.47 4.51 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.29 1.036 . . . . 0.0 111.781 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.64 161.28 27.92 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 109.903 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -117.04 128.81 55.53 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.45 1.1 . . . . 0.0 108.689 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.488 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 93.1 t -99.54 128.28 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.67 125.05 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.7 134.55 33.96 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.8 pt -132.4 126.0 54.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.98 99.68 8.75 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.494 HG23 HE22 ' A' ' 40' ' ' GLN . 3.2 t -162.24 154.09 18.74 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.107 -175.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.662 ' HB3' HH11 ' A' ' 43' ' ' ARG . 35.9 m-20 -98.94 3.75 47.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.924 0.489 . . . . 0.0 111.465 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -145.2 137.99 26.2 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.549 0.739 . . . . 0.0 109.396 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.3 tp -105.65 -40.86 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.405 0.682 . . . . 0.0 111.613 -172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.59 70.13 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.397 0.436 . . . . 0.0 114.161 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -75.8 -21.59 57.19 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.041 0.936 . . . . 0.0 112.269 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -128.88 1.73 5.36 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.737 0.815 . . . . 0.0 112.796 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 106' ' ' ILE . 57.3 tp -168.38 123.99 0.98 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.392 1.077 . . . . 0.0 108.836 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.5 m -90.67 136.56 32.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.274 0.63 . . . . 0.0 111.156 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 106' ' ' ILE . 21.5 mt -127.01 149.05 50.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.512 1.125 . . . . 0.0 110.362 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.8 m -81.12 -25.66 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.839 0.856 . . . . 0.0 111.154 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -99.06 -58.82 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.836 0.855 . . . . 0.0 111.386 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.485 1.306 0 C-N-CA 122.892 0.477 . . . . 0.0 110.549 178.396 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 121.586 0.708 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.421 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -135.93 -175.16 3.88 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.671 1.189 . . . . 0.0 109.326 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 99.3 mttt -74.54 164.59 26.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.975 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.619 ' HB3' HD11 ' A' ' 36' ' ' ILE . 12.5 m -60.97 -35.06 75.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.967 0.907 . . . . 0.0 110.785 173.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.65 -55.6 16.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.724 1.21 . . . . 0.0 110.158 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.421 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.6 tpt -65.07 -26.4 68.22 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.651 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.88 -52.5 56.21 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.748 0.419 . . . . 0.0 110.503 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 13' ' ' ILE . 47.1 t -67.52 -39.96 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.974 0.796 . . . . 0.0 110.535 -176.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -58.09 -39.51 78.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.181 0.592 . . . . 0.0 110.48 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.91 -32.2 61.74 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.379 0.672 . . . . 0.0 111.44 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD11 HG21 ' A' ' 38' ' ' VAL . 3.3 tt -64.37 -44.68 90.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.273 1.029 . . . . 0.0 110.308 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.597 HG22 ' HE ' ' A' ' 14' ' ' ARG . 1.5 mp -56.54 -41.9 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.597 ' HE ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -65.61 -36.12 82.8 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.311 0.644 . . . . 0.0 111.801 177.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.7 mtp180 -63.19 -46.88 84.99 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 23' ' ' ALA . 6.3 m -71.41 -39.8 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -175.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.64 -31.25 71.13 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.375 0.67 . . . . 0.0 110.652 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.38 62.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.151 0.58 . . . . 0.0 110.807 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.84 -2.32 58.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.691 0.796 . . . . 0.0 111.826 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.34 26.78 27.13 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.03 0.206 . . . . 0.0 113.34 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.42 -163.94 13.13 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.366 0.507 . . . . 0.0 112.501 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -129.7 156.02 44.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.48 1.112 . . . . 0.0 109.737 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -162.27 158.7 24.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.831 0.852 . . . . 0.0 110.903 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.76 2.37 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 t -78.49 102.74 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.754 0.821 . . . . 0.0 109.43 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -79.09 -41.27 29.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.505 0.722 . . . . 0.0 111.801 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -128.24 144.22 51.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.251 0.62 . . . . 0.0 109.464 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 84.7 tttt -129.51 120.9 26.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.21 1.004 . . . . 0.0 109.741 -176.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 -142.31 8.89 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.216 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 130.65 44.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.52 0.728 . . . . 0.0 111.178 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 43.5 mt-10 -65.25 -46.15 81.71 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.678 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.14 -42.1 8.76 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.894 0.477 . . . . 0.0 111.596 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.91 21.43 17.41 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.421 0.688 . . . . 0.0 112.849 -167.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.0 145.34 17.74 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 114.092 0.397 . . . . 0.0 114.092 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 159.18 32.43 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 5' ' ' SER . 20.8 mm -133.94 121.43 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.51 113.93 18.1 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.404 1.082 . . . . 0.0 108.885 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 12' ' ' LEU . 43.1 t -113.13 149.54 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.294 1.038 . . . . 0.0 109.206 -175.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 11.2 ptp180 -122.58 120.9 35.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -87.5 121.17 29.59 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 36.2 ttm180 -94.6 129.34 41.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -97.93 167.14 11.1 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.989 0.916 . . . . 0.0 110.605 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.62 -21.12 66.2 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.871 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -23.75 62.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.116 1.367 . . . . 0.0 112.084 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 -3.67 62.53 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.1 170.37 10.08 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.708 0.803 . . . . 0.0 110.638 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.5 mt-10 -144.01 161.21 39.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.751 0.821 . . . . 0.0 111.371 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -111.98 170.9 7.83 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 108.624 173.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 82' ' ' ILE . 17.6 tp -135.85 142.89 44.85 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.67 157.81 42.75 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.594 1.157 . . . . 0.0 108.328 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.53 175.69 30.27 Favored Glycine 0 N--CA 1.465 0.616 0 CA-C-O 118.611 -1.105 . . . . 0.0 110.482 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 120.36 6.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 CA-C-N 120.206 2.003 . . . . 0.0 110.379 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.812 0 CA-C-O 119.095 -0.478 . . . . 0.0 109.734 177.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.245 0.861 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 133.18 38.27 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -95.06 157.85 15.71 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.9 m-85 -100.9 166.38 10.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.614 0.366 . . . . 0.0 111.152 -173.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 113' ' ' VAL . 12.2 pt-20 -121.97 144.45 48.87 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.654 1.181 . . . . 0.0 108.822 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -87.6 109.64 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -77.03 -67.0 0.75 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.366 0.666 . . . . 0.0 109.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -114.56 160.31 19.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.733 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.55 129.45 9.44 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.077 0.551 . . . . 0.0 110.391 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.04 27.2 73.75 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 123.931 0.769 . . . . 0.0 113.731 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -102.46 -171.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.209 1.004 . . . . 0.0 110.42 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.6 pt-20 -103.6 168.29 9.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.501 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.32 -23.62 64.62 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.86 0.725 . . . . 0.0 114.027 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.22 -39.56 75.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 122.91 0.484 . . . . 0.0 110.539 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 49.9 mm-40 -65.15 -36.06 83.04 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.953 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 49' ' ' LEU . 44.5 mm -62.9 -56.0 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.708 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.92 69.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.86 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.99 84.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.141 0.976 . . . . 0.0 112.468 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -82.78 -41.96 18.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.463 0.173 . . . . 0.0 111.091 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 49' ' ' LEU . 83.4 mt -59.98 -28.57 67.79 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 11.7 pt-20 -69.37 -34.57 74.75 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.701 0.626 . . . . 0.0 110.72 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -77.06 -34.41 57.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.45 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -74.6 -41.33 60.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.552 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -72.05 -28.07 63.1 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.663 0.602 . . . . 0.0 111.328 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 55.2 ttt180 -55.05 -49.42 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.249 1.02 . . . . 0.0 110.159 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -79.39 -48.2 14.42 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.578 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -142.33 99.26 3.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.599 1.16 . . . . 0.0 108.98 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -77.27 -2.57 35.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.324 0.65 . . . . 0.0 111.141 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.74 10.53 3.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.473 0.709 . . . . 0.0 112.179 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -77.87 161.83 27.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.577 0.703 . . . . 0.0 109.618 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.423 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 19.3 m95 -111.5 135.95 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.06 124.27 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.94 129.17 72.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 10.8 pt-20 -98.09 126.52 43.57 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 169.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 35.1 pt -122.87 141.35 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -119.48 108.86 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.7 t -161.34 154.22 20.81 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.141 0.496 . . . . 0.0 110.776 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -74.6 -41.36 60.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.844 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.18 161.62 27.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.289 0.635 . . . . 0.0 110.448 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.422 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -108.72 -24.77 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 123.393 0.677 . . . . 0.0 111.007 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.96 76.51 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.921 0.728 . . . . 0.0 114.921 -165.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -83.92 -25.03 30.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.072 0.549 . . . . 0.0 112.296 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -121.54 1.26 10.07 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -165.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -161.4 148.96 15.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -112.43 131.82 55.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.048 0.539 . . . . 0.0 110.556 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 70' ' ' PHE . 14.1 mt -128.11 167.38 16.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.182 0.993 . . . . 0.0 110.606 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 71' ' ' GLU . 31.0 m -98.69 -11.07 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.039 0.936 . . . . 0.0 110.666 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -109.69 -60.47 1.78 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.006 0.522 . . . . 0.0 111.796 -170.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.486 1.348 0 C-N-CA 123.358 0.663 . . . . 0.0 112.24 -178.815 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.463 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 40.1 mtm180 . . . . . 0 C--O 1.238 0.462 0 CA-C-O 121.603 0.716 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.436 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 164.86 28.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.134 -178.27 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 17.2 ptpt -72.33 166.99 21.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 122.434 0.293 . . . . 0.0 110.309 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.639 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.2 m -62.71 -35.98 81.49 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.868 0.867 . . . . 0.0 112.031 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.643 0.777 . . . . 0.0 110.971 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.6 tpt -76.84 -23.91 52.7 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -71.73 -45.66 61.07 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG21 ' CE3' ' A' ' 97' ' ' TRP . 34.3 m -66.61 -39.06 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.72 0.638 . . . . 0.0 111.082 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 m -58.89 -47.38 85.17 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.707 0.63 . . . . 0.0 109.99 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.32 -38.6 81.74 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.385 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.72 -42.34 92.86 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.43 1.092 . . . . 0.0 109.974 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 25' ' ' VAL . 89.1 mt -61.6 -45.33 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.533 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -69.18 -24.84 64.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.253 -0.279 . . . . 0.0 110.987 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.1 mtp180 -67.44 -44.87 77.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.06 0.544 . . . . 0.0 110.973 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -71.72 -36.22 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.573 -177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 43.8 m-85 -70.03 -27.26 64.52 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.376 0.671 . . . . 0.0 110.65 176.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.99 74.89 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.782 0.433 . . . . 0.0 110.675 169.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.64 -22.76 40.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.271 0.628 . . . . 0.0 111.581 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.17 -0.93 37.91 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 120.08 -0.289 . . . . 0.0 113.177 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.57 -164.14 28.05 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 122.971 0.32 . . . . 0.0 113.622 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.1 t80 -126.76 157.64 38.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.561 1.144 . . . . 0.0 109.265 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.4 154.67 21.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.526 0.73 . . . . 0.0 110.581 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.7 130.69 2.41 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.139 0.899 . . . . 0.0 110.4 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.485 HG23 HD11 ' A' ' 13' ' ' ILE . 98.1 t -76.21 109.11 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.056 0.542 . . . . 0.0 109.732 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -77.01 -73.3 0.3 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.462 0.705 . . . . 0.0 110.06 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.05 146.68 23.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 122.699 0.4 . . . . 0.0 110.086 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 56.8 tttm -125.05 146.03 49.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.79 0.836 . . . . 0.0 109.706 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.11 -128.59 2.57 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.971 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.13 148.38 28.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.506 0.722 . . . . 0.0 112.008 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 42.1 mt-10 -65.53 -62.51 1.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.505 0.722 . . . . 0.0 112.501 -176.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.85 -44.17 7.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.987 0.515 . . . . 0.0 111.334 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.68 4.34 44.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.736 0.814 . . . . 0.0 112.495 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.91 134.78 22.26 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 123.392 0.433 . . . . 0.0 112.941 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.72 157.38 37.63 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 167.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.639 HD11 ' HB3' ' A' ' 5' ' ' SER . 34.2 mm -136.09 115.8 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 -177.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 67.9 m-85 -121.24 112.3 18.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.838 0.855 . . . . 0.0 109.689 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -110.22 134.87 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.471 1.109 . . . . 0.0 109.147 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.539 HH11 ' HB3' ' A' ' 100' ' ' GLU . 11.3 ptp85 -106.79 135.96 47.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.1 tt0 -101.03 128.11 47.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -95.23 104.94 16.84 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.65 142.31 35.68 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -60.65 -13.23 13.33 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.181 0.992 . . . . 0.0 112.707 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.27 -14.58 63.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.687 0.795 . . . . 0.0 112.358 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.76 16.89 59.15 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -116.28 170.42 8.54 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.151 0.98 . . . . 0.0 109.524 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 50.5 mt-10 -143.02 142.27 31.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.525 0.73 . . . . 0.0 110.455 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -102.62 172.32 6.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.022 0.929 . . . . 0.0 109.169 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -142.96 140.44 31.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 36.0 m-85 -130.3 146.46 51.9 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.395 1.078 . . . . 0.0 108.89 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 169.59 27.38 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-O 118.937 -0.924 . . . . 0.0 111.303 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.91 126.95 18.33 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.5 2.134 . . . . 0.0 111.426 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 124.081 0.952 . . . . 0.0 111.259 -176.913 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -69.9 117.03 10.96 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.312 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -84.45 154.26 22.86 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -100.58 174.41 6.09 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.864 0.466 . . . . 0.0 110.731 -171.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.57 168.49 19.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.313 1.445 . . . . 0.0 107.987 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.7 m -95.92 107.96 20.29 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 11.3 mmt180 -66.77 -61.6 1.88 Allowed 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -122.94 154.72 38.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.785 0.834 . . . . 0.0 109.411 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.94 117.44 8.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.465 0.306 . . . . 0.0 111.539 -174.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.77 31.84 79.5 Favored Glycine 0 C--N 1.349 1.276 0 O-C-N 123.719 0.637 . . . . 0.0 113.131 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.78 -167.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 0.0 109.577 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -106.1 170.55 7.85 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.68 -24.2 67.82 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.848 -0.614 . . . . 0.0 114.477 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.48 -46.37 89.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.697 0.799 . . . . 0.0 110.509 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.42 -39.26 78.0 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.089 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 49' ' ' LEU . 48.4 mm -58.45 -53.22 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.881 0.738 . . . . 0.0 109.892 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -28.07 67.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.436 0.694 . . . . 0.0 111.925 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.2 88.73 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.114 0.566 . . . . 0.0 111.233 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -80.99 -40.6 24.07 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.885 177.119 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.76 -28.1 63.64 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.667 0.387 . . . . 0.0 110.401 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.09 -45.81 79.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.102 1.361 . . . . 0.0 110.561 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' HD12 ' A' ' 85' ' ' LEU . 66.3 mtp180 -66.68 -48.08 70.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.254 0.622 . . . . 0.0 110.429 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.07 -36.49 74.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.288 0.635 . . . . 0.0 111.283 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -69.27 -29.95 67.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 123.402 0.439 . . . . 0.0 111.21 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -42.43 99.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.994 0.918 . . . . 0.0 109.64 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -75.58 -54.97 6.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.466 0.706 . . . . 0.0 110.03 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.58 102.81 5.04 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.876 0.87 . . . . 0.0 110.52 -171.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -77.87 -3.28 40.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.301 0.64 . . . . 0.0 111.605 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.09 9.04 4.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.176 0.59 . . . . 0.0 112.201 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.5 pt? -74.98 147.9 40.42 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.246 0.546 . . . . 0.0 110.549 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 14.6 m95 -106.21 127.2 53.05 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 91.0 t -102.02 116.21 45.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.6 t -116.28 121.51 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.539 ' HB3' HH11 ' A' ' 39' ' ' ARG . 10.2 pt-20 -91.59 109.67 20.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.5 139.82 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 32.6 tt0 -118.32 109.16 15.97 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -159.81 162.75 34.83 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.367 0.603 . . . . 0.0 110.916 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.04 -41.6 28.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 110.118 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.56 163.46 27.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.189 0.996 . . . . 0.0 110.349 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 112' ' ' LEU . 9.3 tp -117.33 -41.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -170.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.28 74.46 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 123.237 0.336 . . . . 0.0 113.837 -168.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.8 t -70.7 -27.99 64.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.624 0.769 . . . . 0.0 112.276 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -122.98 2.31 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.587 0.755 . . . . 0.0 112.819 -171.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.5 tp -170.92 126.67 0.71 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.961 0.905 . . . . 0.0 109.186 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -86.68 136.05 33.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.428 . . . . 0.0 111.358 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.516 HD11 HG12 ' A' ' 106' ' ' ILE . 27.4 mt -128.46 139.7 52.21 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.735 1.214 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.64 -24.42 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 123.649 0.779 . . . . 0.0 110.592 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.56 -58.78 2.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.509 0.723 . . . . 0.0 111.188 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 122.677 0.391 . . . . 0.0 111.009 179.011 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.004 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -141.86 -176.24 4.7 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.052 0.941 . . . . 0.0 111.255 -176.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.01 157.97 32.14 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 36' ' ' ILE . 23.9 m -62.66 -35.69 80.45 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.2 1.0 . . . . 0.0 110.795 174.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -65.6 -46.9 77.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.594 1.157 . . . . 0.0 110.386 173.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG3' HD22 ' A' ' 3' ' ' LEU . 5.7 tpt -68.62 -22.49 64.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.378 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 12' ' ' LEU . 68.8 t80 -75.91 -47.54 24.87 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.089 0.556 . . . . 0.0 109.836 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.87 -37.41 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 123.425 0.453 . . . . 0.0 111.345 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -58.42 -44.05 88.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.953 0.783 . . . . 0.0 110.287 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -71.26 -37.16 71.94 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.458 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 8' ' ' PHE . 4.7 tt -63.31 -42.27 99.01 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.542 1.137 . . . . 0.0 110.433 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 69.2 mt -57.89 -45.3 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.842 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.88 -24.02 60.8 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 119.215 -0.421 . . . . 0.0 111.933 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.0 mtp180 -59.98 -46.83 88.16 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.648 0.379 . . . . 0.0 110.29 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 109' ' ' LEU . 3.6 m -73.59 -36.9 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.874 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -66.52 -28.35 68.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.324 0.65 . . . . 0.0 111.023 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -30.05 69.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.133 0.573 . . . . 0.0 111.086 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.51 4.68 53.06 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.643 0.777 . . . . 0.0 111.599 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.29 78.68 Favored Glycine 0 C--N 1.353 1.508 0 C-N-CA 122.937 0.304 . . . . 0.0 113.636 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.37 -179.97 47.62 Favored Glycine 0 C--N 1.344 0.99 0 C-N-CA 122.994 0.33 . . . . 0.0 113.798 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -114.78 155.12 27.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.355 1.062 . . . . 0.0 109.603 -174.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 155.23 30.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.202 0.601 . . . . 0.0 111.33 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.96 121.05 1.03 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.212 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.73 96.71 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.745 0.783 . . . . 0.0 110.027 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.62 -64.58 0.83 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.836 1.255 . . . . 0.0 111.275 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -98.01 145.16 26.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.799 0.44 . . . . 0.0 110.256 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -122.76 137.64 54.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.903 0.881 . . . . 0.0 109.338 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.29 -134.37 3.94 Favored Glycine 0 C--N 1.34 0.753 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.01 137.49 35.09 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.516 0.726 . . . . 0.0 111.093 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.43 -56.25 19.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.063 0.545 . . . . 0.0 112.167 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.02 -57.59 2.76 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.651 0.38 . . . . 0.0 111.615 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.62 4.72 39.15 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.35 153.47 47.98 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 120.113 -0.271 . . . . 0.0 112.823 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.77 165.43 16.9 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.683 HG12 HH21 ' A' ' 68' ' ' ARG . 41.8 mm -134.71 123.49 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.5 m-85 -123.15 113.05 18.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.984 0.914 . . . . 0.0 108.748 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.27 131.93 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.856 0.862 . . . . 0.0 109.084 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 2.0 ptm180 -108.6 115.87 30.91 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 109.648 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.592 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.5 tt0 -80.66 149.75 29.68 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -129.82 120.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.37 1.068 . . . . 0.0 108.167 173.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.3 mm? -83.71 137.89 33.55 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -60.42 -14.69 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.111 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.93 -42.18 77.1 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.006 1.322 . . . . 0.0 110.834 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.55 -15.03 2.03 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.003 -0.544 . . . . 0.0 113.413 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' HD23 ' A' ' 42' ' ' LEU . 10.2 mmt180 -88.96 163.53 15.52 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 117.478 0.639 . . . . 0.0 111.009 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -126.83 170.51 12.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.507 1.123 . . . . 0.0 109.819 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.6 m120 -143.95 162.66 35.58 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.461 1.504 . . . . 0.0 107.955 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -134.39 142.05 47.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.42 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 53.7 m-85 -132.95 148.92 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.531 1.132 . . . . 0.0 108.367 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 177.62 24.27 Favored Glycine 0 N--CA 1.466 0.654 0 CA-C-O 119.129 -0.817 . . . . 0.0 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HD2' ' A' ' 68' ' ' ARG . 23.0 Cg_exo -65.81 117.59 4.77 Favored 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.321 2.014 . . . . 0.0 110.84 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 123.513 0.725 . . . . 0.0 110.988 178.097 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.246 0.895 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.683 HH21 HG12 ' A' ' 36' ' ' ILE . 13.0 ptt180 -73.35 122.27 21.77 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HD3' HG22 ' A' ' 111' ' ' THR . 30.0 ttm-85 -77.26 164.96 25.1 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -102.21 164.8 11.49 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.733 0.413 . . . . 0.0 111.39 -176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -127.57 155.16 44.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.827 1.251 . . . . 0.0 108.351 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.5 m -87.79 102.85 15.07 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.0 mmm180 -72.04 -56.31 5.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.575 0.75 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . 92.6 mt -121.8 158.56 28.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.668 0.787 . . . . 0.0 109.748 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.479 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . . . -154.54 138.27 16.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.025 0.53 . . . . 0.0 110.874 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.14 31.75 62.36 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 123.893 0.746 . . . . 0.0 113.511 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.0 -165.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.609 1.164 . . . . 0.0 110.099 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.47 170.89 8.55 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.318 0.647 . . . . 0.0 110.386 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -22.04 66.9 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.603 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.51 -41.87 83.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.035 0.534 . . . . 0.0 110.158 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.75 -37.21 84.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.423 0.689 . . . . 0.0 111.274 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' LEU . 47.1 mm -62.86 -56.6 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.811 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.73 68.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.726 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -60.39 -44.66 95.44 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.824 0.703 . . . . 0.0 110.619 175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tp -78.43 -44.94 23.48 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.323 0.39 . . . . 0.0 111.505 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.57 -35.23 65.53 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.58 0.55 . . . . 0.0 111.65 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -29.1 63.86 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.811 0.695 . . . . 0.0 110.473 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 68.0 mtt180 -73.09 -52.07 15.66 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.18 -38.28 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.636 -172.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -66.05 -29.3 69.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.55 0.531 . . . . 0.0 111.876 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -61.86 -48.74 79.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.518 0.727 . . . . 0.0 109.856 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.11 -52.9 9.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 0.0 110.635 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -134.5 97.15 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.253 1.021 . . . . 0.0 108.984 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 t -76.46 -5.52 47.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.577 0.751 . . . . 0.0 111.958 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.69 -2.7 18.27 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -72.7 154.14 40.84 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 121.565 0.698 . . . . 0.0 110.186 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -107.85 151.65 25.47 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.9 t -124.01 122.96 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -120.25 122.84 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.6 pt-20 -85.31 129.8 34.73 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' A' ' 40' ' ' GLN . 46.1 pt -126.59 135.95 62.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -117.23 110.26 17.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.1 t -164.81 157.24 16.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.45 0.7 . . . . 0.0 110.953 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -69.45 -51.16 38.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.061 0.944 . . . . 0.0 111.243 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -105.67 172.56 6.73 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.948 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.4 tp -132.73 -40.45 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.8 95.02 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 123.448 0.467 . . . . 0.0 114.028 -167.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.5 t -69.3 -31.85 70.61 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.577 0.751 . . . . 0.0 111.76 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -112.74 3.03 16.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.642 0.777 . . . . 0.0 112.349 -170.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.5 tp -174.36 116.04 0.2 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.853 1.261 . . . . 0.0 108.247 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.432 HG22 ' HD3' ' A' ' 69' ' ' ARG . 19.6 m -83.03 138.17 33.84 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.076 0.55 . . . . 0.0 111.182 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 mt -127.26 152.22 47.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.853 0.861 . . . . 0.0 110.836 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.23 -23.17 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.395 1.078 . . . . 0.0 109.392 170.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -83.08 -62.82 1.49 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.118 -174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 . . . . . 0 CA--C 1.542 0.672 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.345 176.208 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 42.1 mtm180 . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 122.058 0.932 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -123.17 171.46 9.31 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.758 -170.545 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 17.9 ptpt -78.41 172.7 13.24 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.297 0.373 . . . . 0.0 110.235 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.635 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.3 m -58.98 -47.68 84.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.541 1.136 . . . . 0.0 111.726 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.84 -39.9 95.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.578 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.516 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 6.4 tpt -69.59 -23.97 63.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -76.66 -49.15 16.86 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -62.52 -39.67 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 123.406 0.441 . . . . 0.0 111.535 -174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -60.19 -47.31 86.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.63 0.772 . . . . 0.0 110.227 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.01 73.03 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.905 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.31 -41.53 96.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.929 1.292 . . . . 0.0 111.055 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.596 HD11 HG23 ' A' ' 25' ' ' VAL . 83.2 mt -65.03 -36.39 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.312 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -74.49 -25.57 59.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.21 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -66.01 -48.2 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.294 0.371 . . . . 0.0 110.118 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG12 HD13 ' A' ' 109' ' ' LEU . 7.2 m -67.95 -42.29 85.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.306 -174.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.17 -28.66 63.37 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.364 0.665 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.375 . . . . 0.0 110.219 171.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.48 67.42 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.851 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.15 -19.56 4.33 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 123.22 0.438 . . . . 0.0 113.068 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.07 -179.97 44.28 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.25 0.46 . . . . 0.0 114.25 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 75.5 t80 -110.91 156.77 20.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.29 1.436 . . . . 0.0 109.676 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.69 161.3 37.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.176 0.991 . . . . 0.0 110.479 171.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.63 126.41 1.06 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.997 0.811 . . . . 0.0 110.642 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 13' ' ' ILE . 93.4 t -73.53 107.53 4.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -85.12 -56.14 3.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.823 0.849 . . . . 0.0 110.448 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 64.3 tttp -101.8 140.54 35.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.73 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -130.75 125.67 34.43 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.328 1.051 . . . . 0.0 109.134 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -133.09 4.19 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.81 121.75 18.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.336 0.655 . . . . 0.0 110.663 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -66.26 -44.06 84.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.68 0.792 . . . . 0.0 111.351 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -78.4 -57.21 3.9 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.639 0.776 . . . . 0.0 112.073 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.59 26.49 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.682 0.793 . . . . 0.0 113.098 -167.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.64 154.35 34.2 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 113.65 0.22 . . . . 0.0 113.65 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.65 31.88 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.635 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.6 mm -128.24 111.1 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.7 m-85 -110.54 113.7 26.53 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.785 0.834 . . . . 0.0 109.283 175.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -109.57 129.08 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.573 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -113.6 119.28 36.93 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.347 0.594 . . . . 0.0 110.275 -177.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.9 tp60 -82.24 146.95 29.21 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.689 1.596 . . . . 0.0 111.018 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -130.82 123.22 28.62 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.626 0.771 . . . . 0.0 109.338 172.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.9 mm? -93.42 167.95 11.38 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.046 0.938 . . . . 0.0 111.359 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.9 -27.84 68.5 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.069 170.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.42 -23.64 64.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.104 1.362 . . . . 0.0 111.919 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.9 20.42 55.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.15 177.81 4.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.047 0.939 . . . . 0.0 108.814 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.55 163.89 31.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.561 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.3 m-80 -134.36 164.57 27.12 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 168.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -133.8 143.4 48.36 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -129.27 159.57 35.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.183 0.993 . . . . 0.0 108.929 -176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.59 172.6 31.71 Favored Glycine 0 N--CA 1.459 0.194 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.497 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 6.5 Cg_exo -73.17 118.05 5.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.303 2.002 . . . . 0.0 110.337 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.767 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.641 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -81.76 134.87 35.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.09 0.472 . . . . 0.0 110.838 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.79 161.4 23.27 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.724 -1.214 . . . . 0.0 107.724 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.07 175.07 5.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 -176.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.52 168.62 19.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.192 1.397 . . . . 0.0 109.059 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.4 m -101.5 111.95 24.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.05 -46.46 51.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.357 0.663 . . . . 0.0 110.73 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.7 mt -139.6 158.25 44.44 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.052 0.941 . . . . 0.0 109.153 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.14 136.03 14.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.21 26.09 68.95 Favored Glycine 0 C--N 1.357 1.725 0 O-C-N 123.881 0.738 . . . . 0.0 113.371 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.5 m -102.94 -167.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.802 1.241 . . . . 0.0 110.228 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.4 pt-20 -121.08 172.41 7.97 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.131 0.572 . . . . 0.0 110.805 177.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.95 65.94 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 124.122 0.889 . . . . 0.0 114.403 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.53 -44.59 82.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.074 0.55 . . . . 0.0 110.057 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.83 -38.1 85.78 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.599 0.76 . . . . 0.0 110.742 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.441 HG21 ' HE ' ' A' ' 39' ' ' ARG . 49.1 mm -61.18 -56.47 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.357 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.54 65.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.783 0.833 . . . . 0.0 111.342 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -65.22 -39.18 92.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.092 0.557 . . . . 0.0 111.203 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -41.03 21.52 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.83 0.286 . . . . 0.0 111.038 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.62 -31.86 62.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.157 0.583 . . . . 0.0 111.082 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -75.17 -32.03 61.15 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.508 0.505 . . . . 0.0 110.17 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 33.6 mtp-105 -70.28 -50.39 39.99 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 121.496 0.665 . . . . 0.0 109.398 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -66.47 -42.79 86.99 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.497 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -66.43 -28.79 68.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 123.604 0.565 . . . . 0.0 111.393 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -62.4 -46.46 88.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.585 0.754 . . . . 0.0 110.08 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -89.96 -14.31 34.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.999 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -161.71 91.26 0.81 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.437 0.695 . . . . 0.0 109.837 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -77.09 -3.14 37.75 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 122.984 0.514 . . . . 0.0 110.723 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.44 3.26 16.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.762 0.825 . . . . 0.0 112.237 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.65 160.29 25.08 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.013 0.435 . . . . 0.0 110.906 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -118.25 127.34 53.63 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.98 1.312 . . . . 0.0 108.779 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.451 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 99.2 t -99.63 116.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 25' ' ' VAL . 29.7 t -110.32 112.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 10.1 pt-20 -88.06 108.34 19.19 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.524 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -103.5 150.75 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.376 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 39.0 tt0 -138.83 105.91 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 HE22 ' A' ' 40' ' ' GLN . 4.8 t -159.84 159.97 33.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.779 -175.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -74.12 -45.33 49.63 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.338 0.655 . . . . 0.0 110.22 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -119.64 142.67 48.23 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.187 0.595 . . . . 0.0 110.129 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 tp -94.92 -35.98 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.446 0.698 . . . . 0.0 110.544 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.79 77.66 1.75 Allowed Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.83 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t 176.43 -30.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.361 1.464 . . . . 0.0 108.974 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.559 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -125.44 -3.9 7.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.661 0.784 . . . . 0.0 112.531 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.54 138.52 13.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -107.29 125.08 50.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.537 0.735 . . . . 0.0 110.652 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.95 155.33 39.77 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.305 1.042 . . . . 0.0 110.512 -174.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.3 m -87.16 -28.05 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.853 0.861 . . . . 0.0 110.085 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.27 -46.44 41.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.863 0.865 . . . . 0.0 110.21 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 123.681 0.792 . . . . 0.0 110.133 178.188 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 61.8 ttt-85 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.244 0.545 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 174.42 10.53 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.575 1.15 . . . . 0.0 109.636 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.7 ptpp? -72.96 169.32 17.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.383 0.273 . . . . 0.0 110.597 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.3 m -59.39 -45.06 92.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.146 0.979 . . . . 0.0 111.852 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.8 tm-20 -63.5 -39.53 94.69 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.508 1.123 . . . . 0.0 111.174 178.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.553 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.5 tpt -77.23 -23.77 51.29 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -76.3 -43.41 41.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.15 -41.67 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 123.507 0.504 . . . . 0.0 110.34 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.7 t -62.36 -48.72 78.55 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.822 0.701 . . . . 0.0 109.664 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.22 -38.16 82.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.198 0.599 . . . . 0.0 111.226 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 3.7 tt -64.08 -38.68 91.94 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.108 0.963 . . . . 0.0 110.143 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -63.74 -42.48 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.533 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 10' ' ' SER . 9.3 mpt_? -72.59 -24.37 61.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 122.111 -0.368 . . . . 0.0 110.606 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.4 mtt180 -65.07 -49.54 69.67 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.067 0.547 . . . . 0.0 110.549 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 5.5 m -68.74 -40.53 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.244 -174.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -69.56 -28.78 66.28 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.047 0.539 . . . . 0.0 110.679 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.65 66.85 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.774 0.43 . . . . 0.0 111.199 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -10.48 32.84 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.462 0.705 . . . . 0.0 111.765 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.7 4.8 56.9 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.95 -174.37 45.36 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-N 117.157 0.478 . . . . 0.0 113.4 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -112.93 159.22 19.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.426 1.09 . . . . 0.0 109.865 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -159.94 154.3 23.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.581 0.752 . . . . 0.0 111.421 174.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.46 124.05 1.14 Allowed 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.226 0.954 . . . . 0.0 110.046 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 13' ' ' ILE . 57.9 t -69.54 103.93 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.228 0.611 . . . . 0.0 110.259 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.63 -66.87 0.49 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.062 0.945 . . . . 0.0 110.493 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -108.65 144.82 35.89 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.634 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 87.2 tttt -117.51 129.89 56.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.708 1.203 . . . . 0.0 109.215 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.06 -140.35 6.08 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.61 126.48 31.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.608 0.763 . . . . 0.0 110.845 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.49 -46.22 90.91 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.14 -61.77 1.67 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.808 0.443 . . . . 0.0 111.962 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.59 0.83 56.75 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -166.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.33 152.95 51.16 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 114.545 0.578 . . . . 0.0 114.545 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.76 165.16 22.18 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.3 mm -133.46 113.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 30.9 m-85 -111.94 112.92 24.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.433 0.693 . . . . 0.0 109.161 172.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.94 141.71 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 14.7 ptp180 -106.67 134.22 50.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 56.4 tt0 -84.07 145.65 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 164.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -124.17 132.85 53.66 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.139 0.495 . . . . 0.0 109.801 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.18 143.99 27.45 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 167.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.79 HH22 ' HB3' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -63.3 -15.24 56.67 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.416 0.686 . . . . 0.0 111.508 173.824 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.08 -13.94 62.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.141 1.377 . . . . 0.0 112.031 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -5.88 66.26 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -150.5 153.37 35.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 0.0 110.218 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 2.4 m120 -118.72 170.81 8.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -139.72 142.98 36.82 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' H ' HD23 ' A' ' 49' ' ' LEU . 40.1 m-85 -132.2 156.45 46.43 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.499 1.12 . . . . 0.0 109.318 -176.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.5 166.8 30.78 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.28 128.52 13.86 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 122.234 1.956 . . . . 0.0 111.601 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.826 0 C-N-CA 124.215 1.006 . . . . 0.0 110.599 -179.779 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.34 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -68.17 127.48 33.06 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.739 170.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -86.1 154.54 21.3 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.4 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -101.09 175.14 5.69 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.996 0.519 . . . . 0.0 111.418 -173.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -140.48 157.45 45.49 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.23 1.412 . . . . 0.0 109.284 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -92.38 111.38 22.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.053 0.541 . . . . 0.0 109.547 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -74.26 -58.63 3.17 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.84 0.856 . . . . 0.0 111.13 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 49' ' ' LEU . 83.6 mt -119.62 161.06 21.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.503 0.721 . . . . 0.0 109.298 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.75 126.36 8.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.414 0.286 . . . . 0.0 111.549 -176.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 35.41 91.99 Favored Glycine 0 C--N 1.353 1.498 0 O-C-N 123.871 0.732 . . . . 0.0 113.622 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -106.34 -165.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.325 1.45 . . . . 0.0 109.602 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.64 173.7 6.58 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.173 0.442 . . . . 0.0 110.935 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.95 -19.03 65.21 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 115.962 -0.563 . . . . 0.0 114.085 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.25 -47.28 80.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.75 -40.82 88.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.851 0.86 . . . . 0.0 110.76 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.516 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.6 mm -61.23 -56.68 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.06 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.95 68.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.946 0.498 . . . . 0.0 111.638 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.11 71.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.178 0.591 . . . . 0.0 111.167 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.435 HD22 HD13 ' A' ' 49' ' ' LEU . 1.7 tp -82.0 -47.93 12.07 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 122.173 0.189 . . . . 0.0 111.467 172.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.25 -27.21 67.05 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.72 -35.44 80.13 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 60.7 mtp85 -74.75 -49.97 19.06 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.706 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -61.81 -37.52 84.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.366 0.666 . . . . 0.0 111.648 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -70.98 -29.3 65.24 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.279 0.362 . . . . 0.0 111.302 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 30.2 ttm180 -63.72 -47.93 79.13 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.286 0.634 . . . . 0.0 110.271 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.67 -54.78 16.77 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -148.18 105.66 3.66 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.905 0.882 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.5 t -76.91 -1.81 30.39 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.42 3.76 4.47 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -76.56 155.46 33.62 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.537 0.684 . . . . 0.0 111.627 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.413 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 21.6 m95 -111.97 131.61 55.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 114.313 -1.312 . . . . 0.0 107.997 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 21.9 t -112.17 126.53 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.39 122.22 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 123.157 0.583 . . . . 0.0 109.68 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 13.9 pt-20 -86.81 106.6 17.82 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 25.7 pt -107.47 147.76 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -120.27 125.68 48.71 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.563 HG21 HD11 ' A' ' 109' ' ' LEU . 8.8 t -172.76 166.25 5.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.668 1.187 . . . . 0.0 108.609 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.79 ' HB3' HH22 ' A' ' 43' ' ' ARG . 11.6 p-10 -102.07 -36.48 8.56 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 165.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -95.3 98.35 10.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.994 0.917 . . . . 0.0 109.964 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 tp -81.15 -31.49 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.028 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.81 -18.76 66.7 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 114.535 0.574 . . . . 0.0 114.535 -170.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -86.52 -24.76 25.41 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD11 HG21 ' A' ' 103' ' ' THR . 1.9 pp -126.5 4.99 6.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -167.4 132.96 2.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.226 1.011 . . . . 0.0 109.149 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 15.4 m -95.21 129.85 42.17 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.643 0.777 . . . . 0.0 110.925 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.43 139.77 48.16 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.736 0.814 . . . . 0.0 111.486 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.1 m -79.61 -28.94 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.084 0.953 . . . . 0.0 110.289 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.2 -53.92 21.47 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.048 0.939 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 CA--C 1.552 1.051 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.025 179.732 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -146.53 -178.37 6.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.804 1.241 . . . . 0.0 109.551 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.04 155.61 39.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.592 0.357 . . . . 0.0 110.331 173.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -60.14 -36.24 77.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.337 1.055 . . . . 0.0 110.545 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.29 -51.8 67.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.452 1.101 . . . . 0.0 110.98 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.0 tpt -68.61 -23.74 64.49 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.264 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -69.86 -46.3 65.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.26 -43.67 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 50.3 m -54.62 -54.15 45.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.396 1.06 . . . . 0.0 109.957 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.67 -37.78 88.65 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.555 0.742 . . . . 0.0 112.019 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 110' ' ' LEU . 26.0 tp -58.6 -43.56 89.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.562 1.545 . . . . 0.0 111.139 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 23' ' ' ALA . 79.7 mt -64.67 -38.36 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.465 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.6 mpt_? -73.75 -26.16 60.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 122.112 -0.368 . . . . 0.0 110.665 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.5 mtp180 -66.11 -44.44 84.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.051 0.54 . . . . 0.0 110.706 175.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -70.46 -42.41 78.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.08 -29.23 68.94 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.858 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -29.01 65.87 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.083 0.553 . . . . 0.0 111.224 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.66 4.57 52.39 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.69 0.796 . . . . 0.0 112.086 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.15 39.34 32.31 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-O 120.955 0.197 . . . . 0.0 113.117 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.2 175.25 18.96 Favored Glycine 0 N--CA 1.466 0.684 0 C-N-CA 123.989 0.804 . . . . 0.0 111.539 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 91.0 t80 -111.15 155.09 23.4 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.144 0.578 . . . . 0.0 110.161 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -156.9 157.75 35.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.694 0.798 . . . . 0.0 110.918 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.23 135.81 2.64 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.333 1.021 . . . . 0.0 109.125 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 t -81.36 106.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 39' ' ' ARG . 43.2 mt-10 -74.6 -54.11 8.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.796 0.438 . . . . 0.0 110.36 176.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -119.38 146.95 44.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 0.0 110.214 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.56 149.1 38.74 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.25 1.02 . . . . 0.0 109.697 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.45 -138.07 4.06 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.152 168.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.88 144.79 34.6 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.156 0.582 . . . . 0.0 111.221 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.47 -60.4 2.46 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 123.623 0.769 . . . . 0.0 112.199 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.12 -41.12 10.12 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.972 0.509 . . . . 0.0 111.504 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.2 13.54 34.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.692 0.797 . . . . 0.0 112.037 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.16 148.48 22.31 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -79.19 164.94 23.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -141.6 115.03 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 61.6 m-85 -114.77 112.67 23.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.56 0.744 . . . . 0.0 109.749 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.4 129.17 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.215 1.006 . . . . 0.0 109.068 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HD3' ' OE1' ' A' ' 26' ' ' GLU . 8.3 ptm180 -112.82 121.74 45.61 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.876 0.87 . . . . 0.0 109.564 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.4 tt0 -102.8 121.42 42.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.6 0.76 . . . . 0.0 111.046 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 52.0 ttt180 -81.67 114.02 20.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.23 166.42 22.45 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 0.0 111.182 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -54.84 -30.16 56.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.919 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.07 -38.11 12.39 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.432 0.293 . . . . 0.0 111.074 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.34 1.23 Allowed Glycine 0 C--N 1.342 0.908 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.495 ' NH1' ' HB3' ' A' ' 78' ' ' GLU . 29.5 mmt180 -68.28 168.47 12.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.552 0.341 . . . . 0.0 111.383 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.4 mt-10 -138.75 152.38 47.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.74 0.781 . . . . 0.0 111.237 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.16 166.82 10.24 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.426 1.09 . . . . 0.0 108.771 168.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -136.36 140.79 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 174.236 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 47.3 m-85 -129.17 146.98 50.98 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.571 1.148 . . . . 0.0 108.125 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.55 168.49 27.31 Favored Glycine 0 N--CA 1.468 0.788 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.774 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.23 124.37 12.86 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 122.605 2.204 . . . . 0.0 111.166 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.68 0 C-N-CA 123.309 0.643 . . . . 0.0 110.615 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.246 0.546 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -81.03 106.86 13.36 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.127 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -91.6 148.13 22.5 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 172.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.0 m-85 -99.85 176.19 5.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.395 0.678 . . . . 0.0 110.902 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -139.36 168.85 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.799 1.64 . . . . 0.0 107.839 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -96.56 107.3 19.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 41.8 mmt-85 -68.14 -59.81 2.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.332 0.653 . . . . 0.0 109.676 175.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.06 159.17 29.03 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.723 0.809 . . . . 0.0 110.438 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.22 118.87 7.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.911 0.484 . . . . 0.0 110.714 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.18 29.63 68.42 Favored Glycine 0 C--N 1.349 1.287 0 O-C-N 123.63 0.581 . . . . 0.0 114.056 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.55 150.13 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.448 1.099 . . . . 0.0 109.813 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 11.9 pt-20 -72.7 169.95 15.56 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.882 0.373 . . . . 0.0 111.823 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.17 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 114.933 -1.03 . . . . 0.0 115.135 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.9 -51.03 64.16 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.12 -36.9 84.38 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.844 0.858 . . . . 0.0 111.355 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.9 mm -58.96 -55.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.944 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.44 68.22 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.647 0.779 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.84 75.22 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.381 0.672 . . . . 0.0 111.167 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -82.34 -41.11 20.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.723 0.238 . . . . 0.0 111.166 173.124 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -55.91 -32.1 63.46 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.191 0.596 . . . . 0.0 110.881 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -34.15 72.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.862 0.726 . . . . 0.0 110.425 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -73.59 -48.0 36.08 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.375 0.607 . . . . 0.0 110.094 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.11 -34.35 68.54 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.23 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.1 ptt180 -71.24 -30.07 65.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 123.479 0.487 . . . . 0.0 111.574 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.73 -49.37 78.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.768 0.827 . . . . 0.0 109.739 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.96 -54.26 10.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.403 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -135.2 102.46 5.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.108 0.563 . . . . 0.0 109.967 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -71.26 -1.87 14.17 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.889 0.876 . . . . 0.0 110.648 171.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -70.46 0.85 5.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.974 0.91 . . . . 0.0 112.258 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.0 pt? -76.89 146.77 37.44 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.34 0.59 . . . . 0.0 110.977 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.45 125.74 51.33 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -99.18 115.17 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.84 117.08 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -85.68 107.94 17.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -103.58 160.27 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.2 tm-20 -143.81 107.82 4.72 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -172.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 t -170.23 163.98 8.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.672 0.789 . . . . 0.0 110.461 -171.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.07 -48.07 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.991 0.917 . . . . 0.0 110.251 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.81 150.97 26.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.363 0.665 . . . . 0.0 110.333 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG12 HD11 ' A' ' 112' ' ' LEU . 10.3 tp -111.3 -35.7 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.117 0.567 . . . . 0.0 111.009 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.78 66.17 3.38 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 123.493 0.496 . . . . 0.0 113.106 -172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.9 t -175.04 -35.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.084 1.353 . . . . 0.0 108.767 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -115.41 -4.42 12.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.653 0.781 . . . . 0.0 111.869 -174.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 12' ' ' LEU . 60.0 tp -156.63 150.36 24.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.503 1.121 . . . . 0.0 108.171 171.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.5 m -108.99 131.34 55.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.178 0.591 . . . . 0.0 110.708 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 HG12 ' A' ' 106' ' ' ILE . 16.6 mt -126.87 161.98 26.99 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.521 1.128 . . . . 0.0 109.827 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.3 0.28 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 110.405 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -103.98 -55.22 2.41 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.599 0.76 . . . . 0.0 110.403 -169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 118.881 -0.581 . . . . 0.0 110.11 176.15 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 67' ' ' GLU . 90.5 mtt180 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -141.1 -169.14 2.77 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.654 0.782 . . . . 0.0 111.294 -170.657 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.9 ptpt -95.7 175.53 6.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 175.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.617 ' HB3' HD11 ' A' ' 36' ' ' ILE . 9.4 m -60.77 -48.09 83.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.599 1.16 . . . . 0.0 112.637 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.39 -37.77 87.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.641 0.777 . . . . 0.0 111.034 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.6 tpt -73.52 -23.95 60.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.139 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' A' ' 3' ' ' LEU . 61.2 t80 -75.58 -51.97 11.65 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.45 -39.15 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 123.879 0.737 . . . . 0.0 111.572 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 51.3 p -66.31 -50.19 64.47 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.32 0.648 . . . . 0.0 110.63 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.09 -30.67 71.78 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.014 0.525 . . . . 0.0 111.677 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.28 -41.34 96.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.179 1.392 . . . . 0.0 111.023 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.1 mt -67.18 -35.21 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.081 176.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.0 mpt_? -72.5 -26.41 61.77 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.551 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 61.7 mtp180 -67.57 -45.07 76.64 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.834 0.453 . . . . 0.0 110.415 175.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 HD13 ' A' ' 109' ' ' LEU . 6.8 m -71.32 -43.79 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 -175.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -66.67 -28.18 68.26 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.342 0.657 . . . . 0.0 110.826 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -30.97 71.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.055 0.542 . . . . 0.0 111.11 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.48 57.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.649 0.78 . . . . 0.0 112.085 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.75 46.78 7.05 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.15 179.16 17.06 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.662 0.648 . . . . 0.0 112.056 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.6 t80 -115.39 154.74 28.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.706 0.802 . . . . 0.0 109.517 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 13' ' ' ILE . . . -163.13 165.73 24.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.051 0.54 . . . . 0.0 111.985 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.02 138.34 0.25 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.851 1.26 . . . . 0.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 99' ' ' VAL . 95.2 t -80.72 115.13 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 122.809 0.443 . . . . 0.0 110.269 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.33 -59.17 2.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.949 0.899 . . . . 0.0 110.412 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -107.95 142.37 38.16 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.56 0.744 . . . . 0.0 110.288 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -119.24 142.15 48.29 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.121 0.968 . . . . 0.0 109.768 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.15 -138.8 4.31 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.382 172.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.71 124.12 25.39 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.622 0.769 . . . . 0.0 110.433 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.01 -37.08 83.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 -171.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.05 -60.35 2.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.136 0.574 . . . . 0.0 112.301 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.7 18.23 19.86 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -166.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.06 151.74 42.76 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 113.784 0.273 . . . . 0.0 113.784 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.51 152.96 35.89 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 5' ' ' SER . 33.9 mm -127.03 122.94 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.807 -0.558 . . . . 0.0 109.754 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.4 m-85 -122.11 135.54 54.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.898 1.279 . . . . 0.0 108.577 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.59 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.05 0.54 . . . . 0.0 109.748 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 9.1 ptp180 -109.86 110.77 21.84 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.488 0.715 . . . . 0.0 109.073 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 tp60 -80.62 109.58 15.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.252 1.021 . . . . 0.0 109.559 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.06 111.76 23.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.627 0.771 . . . . 0.0 110.004 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.14 145.24 31.15 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.993 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -48.36 -28.88 3.45 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.467 172.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.93 -9.04 57.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.785 0.834 . . . . 0.0 112.392 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.02 60.89 Favored Glycine 0 C--N 1.343 0.92 0 O-C-N 123.14 0.275 . . . . 0.0 112.564 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -92.25 153.64 19.13 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 32.1 mt-10 -141.02 141.0 34.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.793 0.837 . . . . 0.0 109.62 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 2.2 m120 -113.28 131.4 55.94 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 86' ' ' LEU . 16.8 tp -100.06 143.73 29.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -127.23 156.59 41.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.173 0.989 . . . . 0.0 109.576 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.34 165.05 26.14 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -81.78 105.02 1.49 Allowed 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 122.296 1.997 . . . . 0.0 109.927 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' A' ' 70' ' ' PHE . . . . . . . . 0 C--O 1.249 1.051 0 C-N-CA 122.813 0.445 . . . . 0.0 111.406 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 2' ' ' ARG . 48.3 tt0 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 119.703 -0.189 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -77.22 125.37 29.22 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -81.34 166.12 20.75 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.6 m-85 -102.36 173.94 6.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.056 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -141.48 166.64 24.2 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.206 1.403 . . . . 0.0 108.644 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -103.27 109.85 21.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.918 0.487 . . . . 0.0 109.762 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -71.36 -53.17 15.03 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.467 0.707 . . . . 0.0 110.05 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.36 160.16 37.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.323 1.049 . . . . 0.0 109.035 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.27 116.66 6.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.627 0.371 . . . . 0.0 111.36 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.99 31.74 78.87 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 123.786 0.679 . . . . 0.0 113.913 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.96 -170.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.82 0.848 . . . . 0.0 109.779 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 11.0 pt-20 -98.15 165.97 11.64 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.784 0.434 . . . . 0.0 110.698 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.68 69.15 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.604 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 8.4 tp10 -55.9 -46.96 78.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.196 0.998 . . . . 0.0 110.708 171.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 21.7 mm-40 -69.99 -41.1 74.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.056 0.543 . . . . 0.0 110.906 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 49' ' ' LEU . 34.2 mm -56.84 -56.25 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.03 71.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.783 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.44 94.21 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.363 0.665 . . . . 0.0 111.186 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 1.1 tt -81.51 -36.39 29.26 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 49' ' ' LEU . 97.2 mt -56.87 -28.2 61.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.947 0.499 . . . . 0.0 110.802 175.049 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.64 -44.6 70.29 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 110.818 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 74.4 mtp180 -69.54 -39.54 77.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.245 0.618 . . . . 0.0 110.764 -175.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.9 -44.17 64.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.323 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -65.46 -29.4 70.07 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.974 0.416 . . . . 0.0 111.21 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.81 -32.1 72.39 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.688 0.795 . . . . 0.0 110.551 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -96.55 -24.47 16.04 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.654 0.782 . . . . 0.0 111.801 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.16 92.41 1.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.023 0.529 . . . . 0.0 110.602 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -73.95 -10.89 60.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.359 0.664 . . . . 0.0 110.65 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -81.07 14.56 2.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 112.349 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.3 160.64 24.14 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.044 0.449 . . . . 0.0 109.873 168.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -115.94 149.52 38.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 108.27 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 40.8 t -126.82 128.3 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 171.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 25' ' ' VAL . 21.6 t -116.56 127.0 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.2 pt-20 -85.48 112.44 20.9 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -112.05 139.72 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.5 tm-20 -124.76 107.57 11.07 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.5 t -162.49 164.85 26.8 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.178 0.591 . . . . 0.0 110.694 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.0 -54.72 6.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.813 0.845 . . . . 0.0 111.115 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -111.82 148.82 32.77 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.449 0.7 . . . . 0.0 110.647 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 40' ' ' GLN . 8.2 tp -106.96 -37.16 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.101 0.56 . . . . 0.0 112.142 -170.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -37.62 94.5 Favored Glycine 0 C--N 1.348 1.211 0 N-CA-C 113.924 0.329 . . . . 0.0 113.924 -167.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.4 t -66.27 -28.0 68.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.785 0.834 . . . . 0.0 112.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.593 HD13 HG12 ' A' ' 16' ' ' VAL . 2.0 pp -121.9 1.88 9.91 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.6 tp -157.99 137.36 11.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.634 0.774 . . . . 0.0 108.986 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.1 m -104.32 121.38 43.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.238 0.615 . . . . 0.0 111.361 -172.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mt -129.08 153.35 47.73 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.459 0.703 . . . . 0.0 111.4 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 -30.22 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.664 0.786 . . . . 0.0 110.05 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.42 -43.71 20.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 111.011 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.547 0.854 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 175.041 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 75.3 mtm180 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.732 0.777 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 7' ' ' MET . 15.8 mt -106.44 166.51 10.49 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.186 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 18.6 ptpt -89.66 178.51 6.25 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 167.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.574 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.2 m -56.26 -47.52 78.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.522 0.729 . . . . 0.0 111.746 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.58 -51.61 68.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.847 1.259 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.6 tpt -73.3 -26.5 61.09 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.807 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -74.05 -40.97 62.45 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.055 0.542 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.09 -38.11 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 123.742 0.651 . . . . 0.0 110.671 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.3 m -55.7 -39.3 70.83 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.364 0.665 . . . . 0.0 110.528 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.31 63.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.302 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -42.31 94.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.802 1.241 . . . . 0.0 111.365 -171.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.6 mp -54.21 -50.91 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 O-C-N 123.799 0.687 . . . . 0.0 109.779 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -72.42 -24.77 61.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.814 0.446 . . . . 0.0 111.289 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.2 -45.09 96.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 111.043 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 2.9 m -74.77 -34.99 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.628 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.31 -28.3 67.05 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.287 0.635 . . . . 0.0 110.597 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.01 70.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.031 0.532 . . . . 0.0 110.748 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.39 -19.16 30.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.791 0.836 . . . . 0.0 111.549 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.14 48.94 Favored Glycine 0 C--N 1.347 1.142 0 C-N-CA 122.892 0.282 . . . . 0.0 113.625 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.52 -160.39 25.48 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.157 0.408 . . . . 0.0 113.317 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -132.68 155.28 49.08 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.542 1.137 . . . . 0.0 108.737 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.12 158.4 36.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.842 0.457 . . . . 0.0 111.241 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 128.83 1.06 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.257 0.973 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.12 99.66 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.61 -52.18 34.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.662 0.785 . . . . 0.0 111.34 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 47.9 tttm -118.09 147.33 43.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.395 0.678 . . . . 0.0 109.462 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -131.7 119.49 21.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.39 -122.8 4.1 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.56 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.63 126.37 35.6 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.47 -50.51 73.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.215 1.006 . . . . 0.0 112.463 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.71 -62.47 1.48 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.2 0.6 . . . . 0.0 111.31 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.03 4.14 49.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -166.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.08 174.53 49.25 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 -175.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.88 162.24 13.5 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.872 0.869 . . . . 0.0 109.009 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 5' ' ' SER . 40.9 mm -129.93 112.47 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.3 m-85 -113.77 113.75 25.38 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.602 0.761 . . . . 0.0 109.602 173.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.25 140.52 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.514 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.14 112.12 17.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.594 0.758 . . . . 0.0 109.41 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' HG13 ' A' ' 101' ' ' ILE . 46.7 tt0 -80.46 146.21 31.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.471 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 ttm180 -123.01 129.45 51.52 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.653 0.781 . . . . 0.0 109.513 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.495 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.9 mm? -97.92 147.85 24.04 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.273 1.029 . . . . 0.0 110.981 -174.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.89 -19.11 63.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.623 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.36 -21.88 61.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.067 0.947 . . . . 0.0 111.161 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.28 22.84 11.05 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.895 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -111.47 -178.4 3.44 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.559 0.743 . . . . 0.0 109.895 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 29.9 mt-10 -149.45 159.0 44.67 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.933 1.293 . . . . 0.0 110.025 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' ND2' HD21 ' A' ' 42' ' ' LEU . 23.4 m-80 -125.09 170.67 10.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.346 1.058 . . . . 0.0 108.534 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -139.35 141.68 37.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.131 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 46.9 m-85 -131.95 140.13 48.9 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.398 1.079 . . . . 0.0 109.302 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.67 160.61 24.58 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.93 108.65 2.35 Favored 'Trans proline' 0 C--N 1.364 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 110.656 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.647 0.779 . . . . 0.0 110.907 -177.641 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 2' ' ' ARG . 32.0 tt0 . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.687 0.279 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -87.54 131.92 34.22 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 110.253 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -85.06 156.93 20.88 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.03 174.89 5.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.825 0.45 . . . . 0.0 110.656 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.06 151.82 45.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.741 1.217 . . . . 0.0 108.703 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.9 m -84.95 104.21 14.69 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 26.7 mmm180 -65.29 -63.79 1.02 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.853 0.861 . . . . 0.0 109.765 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 49' ' ' LEU . 57.7 mt -118.21 155.67 30.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.402 1.081 . . . . 0.0 108.83 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.94 135.98 13.84 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.51 26.8 72.01 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.986 0.803 . . . . 0.0 113.404 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 74' ' ' LEU . 30.5 m -114.24 173.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.351 1.06 . . . . 0.0 110.341 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.8 pt-20 -86.24 166.12 15.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.84 0.456 . . . . 0.0 110.625 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.99 63.84 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 123.859 0.724 . . . . 0.0 114.128 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.9 -40.22 75.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.08 0.552 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 42.1 mm-40 -63.89 -40.89 97.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.441 0.696 . . . . 0.0 110.058 174.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 ' HG ' ' A' ' 49' ' ' LEU . 49.5 mm -59.79 -57.93 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.184 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.15 -20.05 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.443 0.697 . . . . 0.0 111.711 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.22 70.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.469 0.708 . . . . 0.0 111.417 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -82.98 -45.64 13.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.344 0.258 . . . . 0.0 111.549 170.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.16 -29.07 63.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.72 -35.2 74.81 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.398 0.437 . . . . 0.0 111.012 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.18 -46.6 41.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.795 0.838 . . . . 0.0 110.421 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.11 -42.47 96.88 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.239 0.616 . . . . 0.0 111.003 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -68.57 -28.54 67.04 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.621 0.576 . . . . 0.0 111.36 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -62.81 -46.17 89.2 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.678 0.791 . . . . 0.0 109.729 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -76.66 -45.25 30.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.126 0.57 . . . . 0.0 110.846 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.71 104.45 3.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.973 0.909 . . . . 0.0 110.012 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 t -67.72 -25.27 65.57 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.043 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -67.99 15.06 0.05 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.0 26.67 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.007 0.523 . . . . 0.0 109.799 165.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -118.55 128.13 54.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.554 1.142 . . . . 0.0 108.445 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 43.4 t -101.74 129.95 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.37 121.31 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -85.64 132.66 34.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.2 pt -129.9 124.3 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -101.23 102.92 13.91 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.7 t -164.5 156.48 16.17 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.75 0.82 . . . . 0.0 109.378 -174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.62 -28.49 15.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.035 0.445 . . . . 0.0 110.375 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -103.48 152.08 22.08 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.62 1.168 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -126.5 -38.79 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -43.07 99.76 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.371 0.419 . . . . 0.0 113.107 -166.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.7 t -65.22 -23.66 67.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.291 1.036 . . . . 0.0 112.93 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -120.25 -0.94 10.34 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.384 0.673 . . . . 0.0 112.486 -172.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.406 HD23 HD11 ' A' ' 106' ' ' ILE . 56.6 tp -170.55 124.05 0.68 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.127 0.971 . . . . 0.0 109.221 176.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -88.12 134.49 33.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.322 0.649 . . . . 0.0 111.0 -174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 106' ' ' ILE . 30.8 mt -132.57 149.16 52.36 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.948 0.899 . . . . 0.0 111.386 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.31 -20.91 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.157 0.983 . . . . 0.0 110.287 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -87.13 -69.56 0.67 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.165 0.586 . . . . 0.0 109.969 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.419 176.428 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 . . . . . 0 C--O 1.241 0.628 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.26 175.36 12.72 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.261 1.024 . . . . 0.0 109.405 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -69.27 165.24 21.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.579 0.228 . . . . 0.0 110.534 175.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.618 ' HB3' HD11 ' A' ' 36' ' ' ILE . 20.1 m -62.23 -34.76 77.11 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 110.673 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.3 tm-20 -65.77 -50.17 65.71 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.759 1.224 . . . . 0.0 110.28 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.548 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 7.9 tpt -67.63 -21.53 65.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.047 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.1 -47.92 40.21 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' GLU . 17.6 m -66.16 -37.58 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.583 0.552 . . . . 0.0 110.951 -177.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -63.58 -47.02 83.21 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.497 0.719 . . . . 0.0 110.134 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.11 -33.56 76.06 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.187 0.595 . . . . 0.0 111.316 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 110' ' ' LEU . 24.9 tp -63.3 -43.79 96.86 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.067 1.347 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 25' ' ' VAL . 80.2 mt -60.73 -40.11 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.871 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -26.22 61.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 76.0 mtp180 -69.53 -43.18 73.53 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.94 0.496 . . . . 0.0 110.512 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 109' ' ' LEU . 10.4 m -71.56 -40.71 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.692 -176.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 51.6 m-85 -69.47 -27.9 65.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.008 0.523 . . . . 0.0 110.916 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.38 67.9 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.072 0.549 . . . . 0.0 111.32 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.88 4.66 40.42 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.842 0.857 . . . . 0.0 111.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.83 -12.13 68.3 Favored Glycine 0 C--N 1.353 1.51 0 N-CA-C 114.16 0.424 . . . . 0.0 114.16 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.38 170.26 52.52 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.008 0.337 . . . . 0.0 113.63 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -107.6 159.11 16.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.878 1.271 . . . . 0.0 109.145 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.57 156.79 26.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.39 0.676 . . . . 0.0 111.462 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.02 132.55 1.74 Allowed 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.33 1.019 . . . . 0.0 109.71 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 13' ' ' ILE . 59.5 t -77.18 107.91 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.256 0.622 . . . . 0.0 109.905 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.66 -61.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 0.0 110.223 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -102.49 145.41 29.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.627 0.771 . . . . 0.0 110.076 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -144.17 123.53 13.08 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.525 0.73 . . . . 0.0 110.531 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.01 -123.54 2.65 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-O 119.921 -0.377 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.28 127.15 32.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.642 0.777 . . . . 0.0 110.588 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.54 -46.98 35.51 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.158 0.583 . . . . 0.0 112.316 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.0 -55.42 4.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.913 0.485 . . . . 0.0 111.029 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.76 16.39 25.99 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.83 154.83 34.44 Favored Glycine 0 C--N 1.347 1.143 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.63 154.41 24.94 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 5' ' ' SER . 35.0 mm -130.71 119.75 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 78.9 m-85 -116.24 114.84 24.95 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.381 1.073 . . . . 0.0 109.053 174.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.18 132.41 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -112.38 110.52 20.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.557 ' HA ' HG13 ' A' ' 101' ' ' ILE . 45.4 tt0 -80.87 138.28 36.18 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 39.9 ttt85 -112.25 115.1 28.25 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.24 145.04 55.59 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -17.55 21.98 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.02 -38.83 24.42 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.65 -28.19 0.67 Allowed Glycine 0 C--N 1.35 1.359 0 O-C-N 123.324 0.39 . . . . 0.0 112.937 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.5 176.56 6.72 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.063 0.545 . . . . 0.0 111.832 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 46.0 mt-10 -144.91 166.66 24.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.193 0.997 . . . . 0.0 111.56 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -140.13 143.06 36.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.805 1.242 . . . . 0.0 107.9 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 82' ' ' ILE . 14.4 tp -106.95 144.23 33.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -131.52 149.98 52.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.484 1.113 . . . . 0.0 109.114 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.0 168.76 26.9 Favored Glycine 0 N--CA 1.469 0.884 0 CA-C-O 119.297 -0.724 . . . . 0.0 111.878 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.63 109.83 2.98 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.71 2.274 . . . . 0.0 111.543 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 123.053 0.541 . . . . 0.0 111.296 -178.016 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.901 0.382 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -94.73 151.19 19.47 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.386 0.674 . . . . 0.0 110.05 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -121.28 151.27 40.23 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.45 175.48 5.56 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.29 0.636 . . . . 0.0 111.45 -172.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.79 162.73 34.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.7 1.2 . . . . 0.0 109.369 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 32.9 m -98.99 106.32 18.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.411 0.684 . . . . 0.0 109.663 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -76.74 -53.45 7.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.63 0.772 . . . . 0.0 110.512 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.6 mt -126.92 161.01 29.31 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.131 0.972 . . . . 0.0 108.635 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.91 136.8 12.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.992 0.517 . . . . 0.0 111.333 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.57 22.33 67.76 Favored Glycine 0 C--N 1.354 1.564 0 O-C-N 123.674 0.608 . . . . 0.0 114.14 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.9 m -96.11 -169.04 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.09 0.956 . . . . 0.0 110.013 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.3 pt-20 -104.73 166.84 10.12 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.93 -17.62 58.73 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.367 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.81 -34.24 60.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.071 0.548 . . . . 0.0 110.748 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 12.6 mm-40 -69.88 -38.05 76.23 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 175.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 49' ' ' LEU . 45.3 mm -57.96 -56.07 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.377 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.24 66.99 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.908 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.99 79.65 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.838 0.711 . . . . 0.0 111.712 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.52 -43.24 15.96 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 117.564 0.166 . . . . 0.0 111.279 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 73.8 mt -50.24 -40.45 47.8 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.387 0.675 . . . . 0.0 111.428 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.72 -33.37 75.49 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.422 0.689 . . . . 0.0 111.826 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -73.54 -53.28 10.93 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 110.127 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.17 -43.23 92.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.995 0.918 . . . . 0.0 111.409 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -70.46 -30.82 67.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 123.441 0.463 . . . . 0.0 111.92 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -36.01 81.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.773 0.829 . . . . 0.0 110.525 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.38 -61.5 1.93 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.971 0.509 . . . . 0.0 109.793 171.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.39 103.97 5.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.622 0.769 . . . . 0.0 109.721 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -78.95 -0.75 32.23 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.036 1.334 . . . . 0.0 112.834 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.69 6.31 5.04 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.36 161.68 27.85 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.136 0.493 . . . . 0.0 110.179 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -115.73 143.59 45.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.304 1.042 . . . . 0.0 108.779 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 97.5 t -119.26 117.95 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.1 t -112.44 119.44 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.0 pt-20 -86.16 107.67 17.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.557 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.1 pt -104.94 134.13 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.37 110.27 19.11 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -159.28 159.38 33.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 111.385 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.54 -44.68 33.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.93 0.892 . . . . 0.0 110.648 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.23 176.96 5.07 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.738 0.815 . . . . 0.0 109.745 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tp -129.03 -32.65 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.52 -35.66 92.33 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -165.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -26.34 60.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.959 0.504 . . . . 0.0 112.224 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 2.7 pp -118.11 -3.33 11.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -167.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 12' ' ' LEU . 48.4 tp -155.74 136.35 13.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -95.76 127.38 41.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.028 0.531 . . . . 0.0 110.915 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 mt -130.26 149.94 51.73 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.584 0.753 . . . . 0.0 111.72 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.46 -30.51 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.153 0.981 . . . . 0.0 109.725 174.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.02 -61.64 1.82 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.579 0.752 . . . . 0.0 110.901 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 29.6 mm-40 . . . . . 0 CA--C 1.551 1.008 0 O-C-N 123.717 0.636 . . . . 0.0 111.283 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.467 0.651 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.519 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -132.38 -176.62 4.14 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.933 0.893 . . . . 0.0 110.726 -173.2 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 98.5 mttt -72.05 158.09 36.59 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.234 170.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' ILE . 10.5 m -60.08 -35.07 74.39 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.154 0.982 . . . . 0.0 110.474 172.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 34.1 tt0 -60.29 -51.02 71.31 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.539 1.135 . . . . 0.0 111.402 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.519 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.4 tpt -73.21 -25.69 60.86 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.833 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.49 -53.91 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 124.005 0.816 . . . . 0.0 111.016 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 22.7 m -55.94 -48.37 75.86 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.014 0.821 . . . . 0.0 110.21 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -62.68 -39.28 93.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.536 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.96 -42.95 95.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.353 1.061 . . . . 0.0 109.865 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.0 mt -62.39 -40.51 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.347 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 10' ' ' SER . 4.8 mpt_? -68.81 -30.36 68.91 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.986 0.514 . . . . 0.0 111.31 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 97.6 mtt180 -66.98 -46.18 75.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.393 0.677 . . . . 0.0 110.6 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG12 HD13 ' A' ' 109' ' ' LEU . 5.3 m -71.23 -41.61 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -68.26 -28.95 67.66 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.145 0.578 . . . . 0.0 110.763 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.71 77.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.033 0.533 . . . . 0.0 110.808 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.59 -5.27 59.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.706 0.802 . . . . 0.0 112.162 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.71 -3.84 61.16 Favored Glycine 0 C--N 1.353 1.493 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.79 -170.56 44.53 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.393 0.521 . . . . 0.0 113.691 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -124.91 159.18 31.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 0.0 109.096 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.58 158.97 36.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.722 0.809 . . . . 0.0 110.462 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.75 120.18 1.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.254 0.971 . . . . 0.0 109.383 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.53 104.05 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 121.678 0.752 . . . . 0.0 109.984 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.34 -59.96 2.57 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -100.15 147.01 26.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.34 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.3 tttm -127.98 118.1 22.93 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.837 0.855 . . . . 0.0 109.258 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 -139.37 7.82 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.251 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.32 144.93 39.9 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.148 0.579 . . . . 0.0 111.253 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 65.6 mt-10 -67.54 -63.16 1.12 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.435 -176.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.77 -34.07 14.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.725 0.41 . . . . 0.0 111.934 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.1 27.6 9.45 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.233 0.613 . . . . 0.0 111.637 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.9 142.15 16.8 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 116.748 -0.206 . . . . 0.0 113.024 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.42 156.76 32.87 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 5' ' ' SER . 31.2 mm -137.95 105.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -109.56 112.1 24.0 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.84 146.52 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.669 1.188 . . . . 0.0 108.35 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 10.1 ptp85 -116.97 125.64 51.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.72 141.43 31.46 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -120.38 114.03 21.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.57 148.95 48.71 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.435 0.459 . . . . 0.0 110.025 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -60.58 -19.63 58.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.203 1.001 . . . . 0.0 111.49 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.92 -51.92 42.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.358 0.663 . . . . 0.0 110.384 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.07 -13.95 2.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.896 -0.593 . . . . 0.0 113.165 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -71.98 163.29 28.12 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.264 0.532 . . . . 0.0 109.99 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.54 156.03 47.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.898 0.479 . . . . 0.0 111.201 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.553 HD21 ' HA ' ' A' ' 75' ' ' ALA . 12.2 m120 -135.82 138.53 42.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.331 1.052 . . . . 0.0 108.71 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 82' ' ' ILE . 12.4 tp -101.8 143.94 31.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.556 0.743 . . . . 0.0 109.301 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -126.37 162.13 26.25 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.56 1.144 . . . . 0.0 110.415 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.43 168.45 32.64 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.84 115.78 4.26 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.745 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . . . . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 122.564 0.345 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -97.79 158.29 15.6 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.516 0.726 . . . . 0.0 109.813 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -99.62 159.92 14.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.1 m-85 -101.37 176.44 5.24 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.88 0.472 . . . . 0.0 110.46 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 14.7 pt-20 -137.61 159.39 42.1 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.347 1.059 . . . . 0.0 109.783 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -99.71 112.47 24.71 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -72.63 -50.84 22.53 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.47 0.652 . . . . 0.0 109.912 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -130.24 147.06 51.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 108.168 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HA ' HD21 ' A' ' 48' ' ' ASN . . . -144.47 135.16 24.81 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.201 0.455 . . . . 0.0 112.121 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.65 44.41 96.9 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 124.306 1.004 . . . . 0.0 112.625 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.24 -178.36 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.666 1.187 . . . . 0.0 109.757 -175.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.23 168.17 10.59 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.097 0.559 . . . . 0.0 110.959 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.15 -25.68 69.81 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.939 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.9 -45.97 90.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.223 0.609 . . . . 0.0 110.32 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.71 -40.53 95.34 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.644 0.778 . . . . 0.0 111.122 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 HD13 ' A' ' 49' ' ' LEU . 31.0 mm -58.96 -56.09 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.75 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.2 68.06 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.882 0.873 . . . . 0.0 112.103 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.17 77.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.438 0.695 . . . . 0.0 111.438 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.13 -41.08 20.95 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.476 0.485 . . . . 0.0 111.278 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 80.9 mt -56.23 -32.2 64.23 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.803 0.441 . . . . 0.0 111.728 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -33.94 68.58 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.669 0.606 . . . . 0.0 110.492 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.91 -44.48 61.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.003 0.521 . . . . 0.0 109.898 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.85 -39.52 63.93 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.493 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -66.19 -28.94 69.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 123.27 0.356 . . . . 0.0 111.572 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -59.01 -43.9 91.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.998 0.919 . . . . 0.0 110.224 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -77.53 -51.29 10.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.26 0.624 . . . . 0.0 111.234 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -139.62 108.27 5.92 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.088 0.955 . . . . 0.0 109.789 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -78.08 -2.22 36.23 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.085 0.954 . . . . 0.0 111.822 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.7 2.04 7.3 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -77.31 150.47 35.24 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.389 0.614 . . . . 0.0 111.098 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.441 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 18.6 m95 -107.52 141.47 38.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.821 1.249 . . . . 0.0 107.706 172.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.97 116.62 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.11 113.11 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 8.1 pt-20 -90.03 108.14 19.55 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.083 0.468 . . . . 0.0 109.921 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . 29.5 pt -105.11 145.15 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.782 . . . . 0.0 109.722 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -118.65 116.64 27.02 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.561 HG21 HD11 ' A' ' 109' ' ' LEU . 9.8 t -159.23 153.67 24.09 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.966 0.412 . . . . 0.0 111.292 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -82.69 -38.15 23.8 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.17 0.988 . . . . 0.0 111.288 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.97 132.88 54.34 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.574 0.749 . . . . 0.0 109.258 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 112' ' ' LEU . 9.2 tp -95.17 -36.54 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 122.874 0.47 . . . . 0.0 112.258 -172.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.5 -41.16 98.57 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 -165.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.0 t -65.89 -27.19 68.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.229 1.012 . . . . 0.0 112.681 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.597 HD13 HG12 ' A' ' 16' ' ' VAL . 1.7 pp -117.85 -3.7 11.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.76 0.824 . . . . 0.0 112.009 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.6 tp -170.12 106.45 0.33 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.326 1.05 . . . . 0.0 108.736 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 m -85.56 132.68 34.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.63 0.772 . . . . 0.0 111.153 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.443 HD11 HG12 ' A' ' 106' ' ' ILE . 10.9 mt -127.85 147.83 50.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.635 1.174 . . . . 0.0 110.107 -171.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.73 -27.73 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.774 0.829 . . . . 0.0 110.285 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -67.76 -55.88 11.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.112 0.965 . . . . 0.0 110.282 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 CA--C 1.551 1.016 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.407 176.806 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -154.21 173.99 15.37 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.983 1.313 . . . . 0.0 108.886 -175.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.24 161.65 26.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.633 0.373 . . . . 0.0 110.928 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 36' ' ' ILE . 22.6 m -62.81 -30.29 71.36 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.802 0.841 . . . . 0.0 111.009 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.18 -52.85 63.08 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.685 0.794 . . . . 0.0 110.844 173.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.612 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.8 tpt -74.87 -22.86 58.42 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.94 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.51 -43.41 90.19 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.95 -51.26 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.045 0.841 . . . . 0.0 110.659 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 18.9 m -58.08 -37.92 75.4 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.046 0.841 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -73.15 -38.72 66.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.63 0.772 . . . . 0.0 110.874 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.1 -42.95 99.69 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.648 1.179 . . . . 0.0 109.45 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 23' ' ' ALA . 89.7 mt -60.46 -42.58 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.476 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 10' ' ' SER . 8.4 mpt_? -69.94 -28.66 65.75 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.017 0.527 . . . . 0.0 111.305 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 98.7 mtt180 -66.53 -42.3 87.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.241 0.616 . . . . 0.0 110.791 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 109' ' ' LEU . 4.4 m -72.56 -39.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.135 -175.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.63 -28.72 66.15 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.775 0.43 . . . . 0.0 110.451 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.27 73.87 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.843 0.457 . . . . 0.0 110.787 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.29 -16.62 36.96 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.746 0.818 . . . . 0.0 111.931 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.98 -16.23 28.02 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 122.982 0.325 . . . . 0.0 113.537 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.99 -176.64 41.17 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 114.22 0.448 . . . . 0.0 114.22 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -112.56 157.61 20.96 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.541 1.137 . . . . 0.0 109.544 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.1 157.42 32.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.548 0.739 . . . . 0.0 111.178 173.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.84 122.38 0.98 Allowed 'General case' 0 C--N 1.351 0.655 0 O-C-N 123.949 0.78 . . . . 0.0 110.142 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -85.83 102.07 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 121.578 0.704 . . . . 0.0 110.426 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.71 -61.24 1.94 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.616 1.167 . . . . 0.0 111.583 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 42.9 tttm -95.92 148.05 23.03 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.83 0.348 . . . . 0.0 110.489 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.5 tttm -125.1 148.02 48.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 109.908 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.86 -127.9 2.52 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.902 169.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.33 145.96 27.98 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.87 0.868 . . . . 0.0 111.543 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.54 -64.08 1.03 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 112.098 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -43.73 8.03 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.907 0.483 . . . . 0.0 111.124 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.15 -2.61 45.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.634 0.773 . . . . 0.0 112.966 -172.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.37 144.26 22.32 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-O 119.906 -0.386 . . . . 0.0 112.812 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -77.16 161.77 27.94 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 5' ' ' SER . 30.3 mm -132.41 115.68 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 84.2 m-85 -114.3 116.43 28.97 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.75 138.49 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.977 1.311 . . . . 0.0 109.407 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.657 HH22 HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -111.55 125.07 53.52 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 170.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.539 ' HA ' HG13 ' A' ' 101' ' ' ILE . 6.1 tt0 -81.25 134.5 35.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 165.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 47.1 ttt85 -113.59 120.6 41.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 46' ' ' ARG . 71.3 mt -92.43 157.51 16.55 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.623 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -54.62 -30.93 56.31 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.183 1.393 . . . . 0.0 111.954 170.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -28.85 68.85 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.643 1.177 . . . . 0.0 111.802 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.96 37.07 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.683 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB2' HD12 ' A' ' 42' ' ' LEU . 33.5 mmt180 -87.8 164.38 15.96 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.217 0.607 . . . . 0.0 109.532 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.2 mt-10 -140.58 160.95 38.89 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.557 0.743 . . . . 0.0 110.054 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.417 HD22 ' HG2' ' A' ' 40' ' ' GLN . 9.0 m-80 -137.0 130.53 31.59 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -99.88 142.21 31.66 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -177.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 37.7 m-85 -130.19 134.17 47.1 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 124.376 1.071 . . . . 0.0 108.747 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.83 165.89 14.66 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.23 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 C-N-CA 122.165 1.91 . . . . 0.0 110.1 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.112 0.565 . . . . 0.0 111.535 -172.537 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -82.92 135.82 34.78 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.963 0.411 . . . . 0.0 109.917 176.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.3 164.71 13.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.491 0.716 . . . . 0.0 109.693 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.96 173.12 6.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.79 148.01 50.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.638 1.175 . . . . 0.0 108.69 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -81.34 100.13 9.04 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 175.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.5 mmm180 -67.28 -59.39 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.682 0.793 . . . . 0.0 109.671 177.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -122.19 158.42 29.44 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.147 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.44 136.62 14.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.577 0.351 . . . . 0.0 111.199 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.3 22.56 71.14 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.892 0.745 . . . . 0.0 113.352 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.39 -166.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.368 1.067 . . . . 0.0 109.847 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.5 pt-20 -122.13 174.81 6.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.687 0.395 . . . . 0.0 110.765 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -23.63 63.33 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 124.012 0.82 . . . . 0.0 114.688 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.22 -49.0 75.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.894 0.478 . . . . 0.0 110.571 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -62.86 -39.81 95.54 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.002 0.814 . . . . 0.0 110.752 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.533 HG23 ' HG ' ' A' ' 49' ' ' LEU . 43.5 mm -59.5 -50.48 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.467 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.45 64.15 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.666 0.786 . . . . 0.0 111.79 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -31.79 72.61 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -80.75 -38.1 29.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.804 174.083 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD21 HH22 ' A' ' 39' ' ' ARG . 62.3 mt -51.14 -39.29 55.95 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.878 0.471 . . . . 0.0 111.941 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -32.53 70.98 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.867 0.729 . . . . 0.0 109.949 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -73.18 -41.67 63.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.476 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -77.41 -41.2 40.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.554 0.741 . . . . 0.0 111.764 -174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -66.88 -25.96 66.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 123.571 0.544 . . . . 0.0 111.39 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -55.6 -43.56 76.17 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.211 0.605 . . . . 0.0 111.111 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -89.64 -46.15 8.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.951 0.901 . . . . 0.0 111.624 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -136.8 96.84 3.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.939 1.296 . . . . 0.0 108.362 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -78.09 -2.8 39.11 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.97 14.83 3.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.244 0.618 . . . . 0.0 112.115 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 1.5 pp -73.81 156.33 37.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.65 0.38 . . . . 0.0 110.369 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.41 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m95 -116.07 128.01 55.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.182 0.993 . . . . 0.0 108.916 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.452 HG13 ' CZ ' ' A' ' 39' ' ' ARG . 53.1 t -97.89 117.09 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.79 126.59 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -93.14 143.73 25.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 168.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 43.1 pt -137.59 129.39 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -108.17 102.5 11.64 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.9 t -168.37 154.61 7.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.17 0.988 . . . . 0.0 108.876 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -89.92 -33.97 16.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.1 0.56 . . . . 0.0 110.442 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.57 109.98 21.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.915 0.886 . . . . 0.0 110.057 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -85.86 -33.72 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.974 0.509 . . . . 0.0 111.266 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.05 5.53 18.35 Favored Glycine 0 C--N 1.348 1.222 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -167.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -115.46 -9.59 12.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 117.875 0.838 . . . . 0.0 111.633 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -135.56 0.54 2.75 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.235 0.614 . . . . 0.0 112.247 -171.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 tp -165.49 128.66 2.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.268 1.027 . . . . 0.0 108.763 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.6 m -94.33 137.33 33.62 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.666 0.786 . . . . 0.0 110.754 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -130.64 148.02 52.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.442 1.097 . . . . 0.0 110.529 -173.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.8 m -77.95 -27.12 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.488 0.715 . . . . 0.0 110.213 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.17 -57.58 3.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 111.062 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 123.311 0.644 . . . . 0.0 111.432 -176.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.551 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -91.92 174.07 7.52 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.969 0.508 . . . . 0.0 110.632 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.0 mtmm -68.08 162.21 25.13 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.875 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 36' ' ' ILE . 49.9 m -55.79 -42.89 76.25 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.463 1.105 . . . . 0.0 111.752 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.56 -44.3 74.78 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.519 0.728 . . . . 0.0 110.514 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.551 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.1 tpt -68.22 -24.36 64.91 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.488 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -76.48 -49.95 15.26 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 ' CE3' ' A' ' 97' ' ' TRP . 33.8 m -67.32 -36.51 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 123.615 0.572 . . . . 0.0 111.848 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m -62.92 -49.61 74.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.029 0.531 . . . . 0.0 109.634 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.41 -32.52 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.365 0.666 . . . . 0.0 111.499 177.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.48 -40.72 95.59 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.897 1.279 . . . . 0.0 111.14 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.529 HD11 HG23 ' A' ' 25' ' ' VAL . 95.8 mt -64.58 -36.92 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.518 176.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -74.15 -25.12 59.56 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.486 0.314 . . . . 0.0 110.899 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 70.2 mtp180 -66.39 -43.86 84.68 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.758 0.423 . . . . 0.0 110.318 174.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 109' ' ' LEU . 3.8 m -70.78 -38.64 73.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -71.45 -28.41 63.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.933 0.493 . . . . 0.0 110.739 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -30.03 70.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.893 0.477 . . . . 0.0 111.037 170.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.55 -19.9 28.76 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.559 0.743 . . . . 0.0 111.701 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.56 -4.73 37.28 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.895 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.46 -177.37 51.74 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 122.958 0.314 . . . . 0.0 113.214 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 92.8 t80 -112.87 159.0 19.48 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.225 1.01 . . . . 0.0 109.585 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.91 160.44 27.92 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.158 0.583 . . . . 0.0 111.932 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.63 137.36 0.8 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.488 1.118 . . . . 0.0 109.844 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 13' ' ' ILE . 86.1 t -82.14 115.02 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 122.974 0.51 . . . . 0.0 109.761 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.87 -51.4 7.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.895 0.878 . . . . 0.0 110.775 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -114.95 140.45 49.01 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.612 0.765 . . . . 0.0 110.002 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 57.2 tttm -129.81 119.32 23.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.536 0.734 . . . . 0.0 109.96 -174.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.31 -132.26 4.04 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.91 -0.383 . . . . 0.0 112.505 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.83 121.15 15.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.052 0.941 . . . . 0.0 111.494 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 44.0 mt-10 -63.21 -35.39 80.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.818 0.847 . . . . 0.0 112.975 -172.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -47.17 6.53 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.19 11.24 14.06 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -168.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.43 138.96 43.39 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 113.791 0.276 . . . . 0.0 113.791 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.71 109.32 11.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.571 0.748 . . . . 0.0 110.674 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 5' ' ' SER . 24.6 mm -85.53 105.34 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 122.121 -0.362 . . . . 0.0 110.401 -171.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.1 m-85 -103.11 113.2 26.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.954 0.902 . . . . 0.0 109.416 172.565 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.8 139.23 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.821 0.848 . . . . 0.0 109.066 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.74 ' HD3' HG21 ' A' ' 82' ' ' ILE . 19.6 ptt85 -113.09 122.96 49.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.539 ' HA ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -78.37 143.8 36.52 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 50.3 ttt85 -124.99 115.85 21.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.087 0.555 . . . . 0.0 109.97 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.4 mm? -84.57 154.61 22.51 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.941 0.896 . . . . 0.0 109.537 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -21.45 64.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.794 0.838 . . . . 0.0 112.182 177.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.82 -12.64 61.07 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.391 1.076 . . . . 0.0 111.514 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.72 -7.21 63.07 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -89.82 167.81 12.56 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.098 0.559 . . . . 0.0 110.141 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -147.61 166.44 27.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.692 0.797 . . . . 0.0 110.627 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' ND2' HD21 ' A' ' 42' ' ' LEU . 26.6 m-80 -136.55 133.09 36.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -101.16 143.13 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.057 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 31.0 m-85 -129.84 143.67 50.93 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.814 1.245 . . . . 0.0 108.787 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.22 169.58 23.93 Favored Glycine 0 N--CA 1.466 0.689 0 CA-C-O 119.06 -0.856 . . . . 0.0 111.179 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.88 111.18 2.11 Favored 'Trans proline' 0 C--N 1.367 1.55 0 C-N-CA 122.351 2.034 . . . . 0.0 110.931 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 123.333 0.653 . . . . 0.0 111.763 -176.25 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 CA--C 1.548 0.882 0 CA-C-O 120.951 0.405 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -65.54 135.25 54.88 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.001 0.92 . . . . 0.0 109.789 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -117.2 151.14 37.51 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 173.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.6 m-85 -100.48 172.11 7.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.713 -172.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 11.0 pt-20 -134.77 145.58 48.55 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.894 1.278 . . . . 0.0 107.999 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.401 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 13.2 m -79.7 102.23 8.86 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 25.8 mmm180 -68.39 -71.7 0.2 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 110.031 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 49' ' ' LEU . 77.1 mt -105.74 157.6 17.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.825 0.85 . . . . 0.0 108.88 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.54 135.46 15.55 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.507 0.323 . . . . 0.0 111.63 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.51 31.32 63.13 Favored Glycine 0 C--N 1.358 1.751 0 O-C-N 124.304 1.002 . . . . 0.0 113.254 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.5 -165.36 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 C-N-CA 125.009 1.324 . . . . 0.0 108.26 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -127.69 176.09 7.79 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.152 0.887 . . . . 0.0 110.962 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.57 -24.79 62.35 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 123.902 0.751 . . . . 0.0 113.824 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.32 -48.59 79.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.438 0.695 . . . . 0.0 110.349 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.71 -37.26 82.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.281 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.74 HG21 ' HD3' ' A' ' 39' ' ' ARG . 37.9 mm -65.29 -57.09 12.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.657 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.97 -24.65 68.0 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.002 0.814 . . . . 0.0 111.638 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.16 89.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.389 0.676 . . . . 0.0 110.912 174.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -74.55 -40.52 61.64 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 178.229 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.4 mt -58.07 -29.04 65.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.111 0.564 . . . . 0.0 110.736 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.0 tp10 -68.98 -41.57 77.7 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 111.123 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -72.61 -53.22 12.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.807 0.443 . . . . 0.0 110.536 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HG2' ' HG ' ' A' ' 85' ' ' LEU . 21.9 mm-40 -63.55 -34.52 77.98 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.269 1.028 . . . . 0.0 112.214 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.8 ptt180 -64.65 -30.68 71.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.382 0.426 . . . . 0.0 111.293 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -66.15 -41.21 90.73 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.382 0.673 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.95 -42.25 27.35 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.135 0.574 . . . . 0.0 110.236 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -142.15 96.68 3.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.439 1.096 . . . . 0.0 109.629 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 t -77.14 -8.83 58.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.559 0.743 . . . . 0.0 110.904 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -84.89 9.55 14.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.439 0.695 . . . . 0.0 112.32 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.73 154.84 36.15 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TRP . . . . . 0.448 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 20.6 m95 -112.82 135.7 53.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.437 1.095 . . . . 0.0 109.306 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 58.3 t -109.48 125.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 25' ' ' VAL . 22.1 t -119.78 123.12 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.4 pt-20 -87.08 129.6 34.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 169.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -126.77 131.3 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 42.7 tt0 -103.06 106.17 16.64 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.485 HG21 HD11 ' A' ' 109' ' ' LEU . 9.0 t -165.37 162.04 19.31 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.276 0.63 . . . . 0.0 110.621 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.99 -29.55 11.33 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.386 1.074 . . . . 0.0 109.765 171.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.94 99.68 9.6 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 108.948 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 112' ' ' LEU . 8.5 tp -84.21 -35.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.953 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.17 69.16 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.46 0.544 . . . . 0.0 114.46 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -85.41 -27.53 25.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.127 0.571 . . . . 0.0 111.541 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -121.94 -3.26 9.15 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -168.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -159.98 137.76 9.9 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.671 0.788 . . . . 0.0 109.003 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 m -95.9 133.38 40.14 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.884 0.473 . . . . 0.0 111.104 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 70' ' ' PHE . 20.8 mt -127.21 151.02 49.24 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.828 0.851 . . . . 0.0 110.659 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.37 -24.64 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.949 0.9 . . . . 0.0 109.944 172.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -85.58 -65.89 0.96 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 111.068 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 15.7 mm100 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.637 0.256 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.66 103.35 10.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -142.01 177.77 7.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.766 0.826 . . . . 0.0 110.665 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.667 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.3 ptpt -80.16 169.83 17.27 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.708 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.8 m -59.18 -46.38 88.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.545 1.138 . . . . 0.0 111.961 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.24 -36.02 82.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.993 0.917 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.498 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.7 tpt -77.34 -26.57 52.2 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.576 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -73.36 -45.79 52.89 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 36' ' ' ILE . 35.5 m -61.47 -43.64 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 123.602 0.564 . . . . 0.0 111.328 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.2 p -65.14 -44.48 88.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.369 0.667 . . . . 0.0 110.421 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.2 -34.63 78.47 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.3 0.64 . . . . 0.0 111.613 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.405 1.082 . . . . 0.0 109.63 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 16' ' ' VAL . 95.9 mt -60.14 -40.84 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.902 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -69.37 -27.35 65.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.499 0.32 . . . . 0.0 111.074 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . 18.2 mtp180 -69.05 -43.31 74.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.492 0.317 . . . . 0.0 110.711 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 109' ' ' LEU . 5.7 m -72.06 -37.73 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.936 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -69.05 -28.89 66.95 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.361 0.664 . . . . 0.0 110.401 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.4 64.4 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.15 0.58 . . . . 0.0 111.293 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.52 -0.61 54.49 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.706 0.802 . . . . 0.0 111.633 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.33 -11.55 71.44 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.969 -0.35 . . . . 0.0 113.719 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.44 -166.56 23.46 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 122.887 0.28 . . . . 0.0 113.468 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 84.1 t80 -129.06 156.57 43.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.553 1.141 . . . . 0.0 109.544 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.12 160.32 32.85 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.054 0.542 . . . . 0.0 111.814 173.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.25 133.6 1.8 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.052 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.05 109.43 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 122.955 0.502 . . . . 0.0 109.918 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.6 -66.02 0.94 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 110.92 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -100.09 146.78 26.39 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.807 0.443 . . . . 0.0 110.312 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 86.3 tttt -124.44 134.78 52.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.02 . . . . 0.0 109.488 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.95 -127.83 3.07 Favored Glycine 0 N--CA 1.471 0.997 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.7 131.61 34.56 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 117.539 0.67 . . . . 0.0 110.808 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 -46.17 69.8 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -87.26 -58.72 2.48 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.052 0.541 . . . . 0.0 111.904 -174.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.25 5.22 39.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.737 0.815 . . . . 0.0 112.716 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.14 159.2 51.57 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 -171.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.47 159.3 22.93 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 5' ' ' SER . 37.4 mm -137.62 117.88 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 33.0 m-85 -120.63 112.33 18.77 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.708 0.803 . . . . 0.0 109.206 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.41 134.74 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.776 0.83 . . . . 0.0 109.065 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.8 ptp180 -105.76 120.53 41.94 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 54.9 tt0 -88.02 127.51 35.39 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 43.6 ttt85 -106.15 105.96 16.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.36 126.03 31.1 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -7.14 9.48 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.86 -25.83 67.37 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.11 0.964 . . . . 0.0 110.401 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.61 7.25 9.9 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.594 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.91 167.94 10.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.499 0.72 . . . . 0.0 109.086 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 34.1 mt-10 -144.43 155.87 43.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.731 0.812 . . . . 0.0 110.102 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.3 m-20 -124.85 164.73 19.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.457 1.503 . . . . 0.0 108.207 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -135.25 142.3 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 175.503 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.9 m-85 -129.94 155.24 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.457 1.103 . . . . 0.0 108.794 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.71 172.98 29.59 Favored Glycine 0 N--CA 1.465 0.582 0 CA-C-O 119.224 -0.765 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.86 125.02 12.08 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.992 1.795 . . . . 0.0 110.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 160.13 79.91 Favored Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.582 0.753 . . . . 0.0 111.485 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.4 88.23 0.16 Allowed 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.644 2.229 . . . . 0.0 110.795 171.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -71.76 145.15 48.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.778 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 p -79.31 61.81 3.5 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.175 0.59 . . . . 0.0 109.881 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.489 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . 22.9 p90 -79.51 107.98 12.69 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.14 87.41 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.852 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 61.26 42.17 12.34 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.105 0.962 . . . . 0.0 110.121 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 4.7 m-20 67.67 23.91 8.59 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.082 1.353 . . . . 0.0 114.186 176.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -65.48 -55.48 17.67 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.314 0.578 . . . . 0.0 110.618 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -8.3 10.86 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.93 -38.32 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.527 0.731 . . . . 0.0 110.673 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -136.15 7.76 3.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.615 0.766 . . . . 0.0 111.613 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 54.1 mmm-85 -116.22 -8.99 11.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.455 0.702 . . . . 0.0 110.768 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.72 153.82 46.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.683 0.793 . . . . 0.0 109.784 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -72.15 95.7 1.69 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.53 112.13 4.52 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.548 170.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -75.57 164.04 26.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.728 0.811 . . . . 0.0 109.57 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.53 177.31 4.96 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 123.756 0.822 . . . . 0.0 110.495 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -142.59 169.4 17.64 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.751 1.22 . . . . 0.0 108.947 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -97.65 108.44 21.15 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.1 mmt180 -68.59 -58.05 4.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.794 0.438 . . . . 0.0 109.925 174.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -126.5 158.29 36.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.659 0.783 . . . . 0.0 109.765 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.3 11.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.867 0.467 . . . . 0.0 111.204 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.99 35.81 92.47 Favored Glycine 0 C--N 1.353 1.505 0 O-C-N 123.934 0.771 . . . . 0.0 112.771 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.74 -167.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.688 1.195 . . . . 0.0 109.649 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.3 173.96 6.24 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.878 0.471 . . . . 0.0 110.668 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.33 -27.8 71.29 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 115.71 -0.677 . . . . 0.0 114.63 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.57 -46.13 84.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -60.02 -40.76 90.4 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.002 0.814 . . . . 0.0 111.052 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 49' ' ' LEU . 47.2 mm -60.1 -56.91 14.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.838 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.68 69.47 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.296 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.85 80.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.5 0.72 . . . . 0.0 111.283 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.42 -39.46 24.9 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 121.872 0.069 . . . . 0.0 110.942 176.054 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.08 -28.33 64.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.991 0.517 . . . . 0.0 110.281 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.99 -43.28 88.26 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.624 1.57 . . . . 0.0 111.035 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -71.29 -47.67 55.48 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.051 0.54 . . . . 0.0 109.95 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.47 -37.95 80.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.028 0.931 . . . . 0.0 111.603 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -63.92 -35.67 81.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.226 0.329 . . . . 0.0 111.191 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -61.55 -48.96 78.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.408 0.683 . . . . 0.0 110.244 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -75.66 -46.14 33.07 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.532 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -146.73 93.04 2.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.701 0.8 . . . . 0.0 110.57 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -74.77 -1.37 21.75 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.128 0.971 . . . . 0.0 112.016 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.14 -1.96 16.88 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.265 0.626 . . . . 0.0 112.37 177.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.64 149.33 49.26 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.323 0.582 . . . . 0.0 110.565 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.425 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 12.4 m95 -101.92 159.28 15.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -130.28 126.13 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.22 123.8 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 13.9 pt-20 -87.48 111.82 21.57 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.4 pt -105.68 128.71 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 3.4 tm-20 -110.43 103.39 12.01 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -159.38 162.43 35.83 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.378 0.671 . . . . 0.0 110.149 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -83.91 -46.01 12.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.163 0.985 . . . . 0.0 109.942 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.86 155.7 18.41 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.419 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -123.51 -37.43 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.1 0.56 . . . . 0.0 111.424 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.36 -34.59 89.78 Favored Glycine 0 C--N 1.35 1.348 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -166.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -72.67 -32.98 66.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.437 0.695 . . . . 0.0 111.731 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -111.22 -0.94 16.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.403 0.681 . . . . 0.0 112.618 -168.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 106' ' ' ILE . 56.7 tp -171.87 117.21 0.39 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 109.213 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.8 m -89.64 137.9 31.94 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.433 0.693 . . . . 0.0 110.666 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.19 148.65 52.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.75 1.22 . . . . 0.0 110.53 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.4 -30.19 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.134 0.974 . . . . 0.0 109.891 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.86 -57.7 4.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.077 0.951 . . . . 0.0 110.028 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.54 145.05 84.4 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.364 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.43 164.05 30.02 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.16 2.573 . . . . 0.0 113.09 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -81.2 150.38 28.66 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.533 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.108 0 C-N-CA 123.202 0.601 . . . . 0.0 110.516 -178.322 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 66' ' ' ALA . 33.6 mtt180 -80.33 105.15 11.37 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.569 1.147 . . . . 0.0 110.005 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.52 -179.44 7.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.982 0.913 . . . . 0.0 111.09 -177.381 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 50.7 mtmt -66.78 163.75 18.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.775 0.43 . . . . 0.0 110.984 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -64.35 -40.88 96.73 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.386 1.075 . . . . 0.0 110.233 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.24 -50.58 72.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.441 1.096 . . . . 0.0 110.49 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.8 tpt -67.8 -26.51 66.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.426 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.57 -47.73 74.79 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.392 0.677 . . . . 0.0 109.643 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.34 -53.48 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 124.127 0.892 . . . . 0.0 111.043 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -58.75 -41.65 87.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.886 -176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.17 -41.46 81.48 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.485 0.49 . . . . 0.0 110.952 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.41 -43.09 97.05 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.336 1.054 . . . . 0.0 110.387 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -58.84 -45.72 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.159 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 2.1 mpt_? -72.66 -23.76 60.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.759 0.423 . . . . 0.0 111.551 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.3 mtp180 -65.58 -44.95 85.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.804 0.442 . . . . 0.0 110.635 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 109' ' ' LEU . 3.9 m -72.97 -35.08 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -70.97 -29.01 64.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.003 0.521 . . . . 0.0 110.551 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.36 83.45 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.937 0.495 . . . . 0.0 110.572 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.01 -25.51 59.93 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.656 0.782 . . . . 0.0 111.419 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.42 -3.14 29.48 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 123.344 0.497 . . . . 0.0 113.382 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.11 -150.6 4.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.381 0.515 . . . . 0.0 114.384 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.0 t80 -140.6 156.63 46.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.353 1.061 . . . . 0.0 109.741 -174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.56 159.26 30.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.631 0.772 . . . . 0.0 110.869 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 121.6 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.315 1.01 . . . . 0.0 110.016 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.37 107.94 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.337 0.589 . . . . 0.0 110.59 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -81.01 -64.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.141 0.976 . . . . 0.0 111.349 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -91.88 146.78 23.48 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.81 0.444 . . . . 0.0 109.85 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -134.59 130.97 37.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.882 0.873 . . . . 0.0 110.215 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.32 -128.51 2.84 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 123.314 0.384 . . . . 0.0 112.879 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.81 140.47 34.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.281 0.632 . . . . 0.0 111.662 -172.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 32.5 mt-10 -75.6 -53.51 8.48 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.34 -35.76 12.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.65 1.7 21.45 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.21 147.93 46.72 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -169.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.56 156.28 32.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 167.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 5' ' ' SER . 29.9 mm -137.77 117.26 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 56.9 m-85 -118.71 111.87 19.05 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.531 0.682 . . . . 0.0 109.629 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.79 131.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.217 1.007 . . . . 0.0 108.962 -172.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.515 HH21 ' HG2' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -113.5 115.06 27.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.129 0.572 . . . . 0.0 109.801 -179.225 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 41.0 tt0 -95.29 119.71 34.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.096 0.559 . . . . 0.0 111.226 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -86.43 118.61 25.97 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.445 0.698 . . . . 0.0 110.106 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.7 mm? -73.53 149.7 42.04 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 168.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.86 -12.27 60.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.553 0.741 . . . . 0.0 111.264 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.21 -20.4 63.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 27.68 8.02 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.071 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HB2' HD23 ' A' ' 42' ' ' LEU . 19.7 mmt180 -121.32 174.33 6.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.364 1.066 . . . . 0.0 110.031 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' HH21 ' A' ' 39' ' ' ARG . 17.0 mp0 -132.66 164.81 25.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.088 0.955 . . . . 0.0 110.347 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 28.5 m-80 -130.41 173.35 10.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.166 1.386 . . . . 0.0 107.574 172.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -147.17 141.09 25.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.425 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.2 m-85 -131.23 152.81 50.14 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.445 1.098 . . . . 0.0 108.769 -176.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.43 162.51 29.3 Favored Glycine 0 C--N 1.335 0.483 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.768 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.58 124.22 13.35 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 111.384 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.24 152.4 39.37 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 123.211 0.604 . . . . 0.0 110.351 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.65 102.99 0.65 Allowed 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.3 2.0 . . . . 0.0 110.455 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -68.13 161.95 25.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.736 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 m -76.5 124.09 27.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -146.76 145.62 30.01 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.45 0.7 . . . . 0.0 110.388 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.1 102.97 9.76 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.499 0.719 . . . . 0.0 109.126 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.67 53.83 5.74 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.237 -175.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 55.37 18.8 2.73 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 31.9 mm-40 -69.92 -61.54 1.74 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.256 0.551 . . . . 0.0 110.822 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.6 m-20 -71.21 -6.64 41.14 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.738 -168.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mm -53.08 -39.66 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.662 0.785 . . . . 0.0 109.933 167.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.8 mtm -111.88 -12.49 13.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.588 1.155 . . . . 0.0 111.497 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 18.8 mmm180 -99.52 -7.22 26.23 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.091 0.556 . . . . 0.0 111.14 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . . . -147.1 159.77 43.21 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.432 1.093 . . . . 0.0 109.233 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 148.24 31.03 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.326 0.584 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -63.21 97.81 0.13 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.107 165.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -79.88 150.58 30.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.607 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.5 m-85 -101.49 173.41 6.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.228 0.537 . . . . 0.0 111.621 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -138.14 169.45 17.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 108.568 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.459 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 26.1 m -100.47 113.14 25.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 mmt180 -70.87 -59.53 2.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.447 0.699 . . . . 0.0 109.838 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 mt -126.62 160.48 30.56 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.989 0.915 . . . . 0.0 109.359 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.37 134.94 11.6 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.263 0.483 . . . . 0.0 111.648 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.18 26.67 66.25 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.811 0.694 . . . . 0.0 113.775 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.38 -169.47 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.073 0.949 . . . . 0.0 110.111 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.3 pt-20 -103.58 161.49 13.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.353 0.661 . . . . 0.0 110.52 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -21.92 63.64 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 115.723 -0.672 . . . . 0.0 114.232 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.99 -38.57 79.37 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.007 0.523 . . . . 0.0 110.466 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 38.3 mm-40 -67.62 -35.52 79.09 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.04 0.536 . . . . 0.0 110.858 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.7 mm -61.7 -55.88 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.492 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.36 70.42 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.973 0.509 . . . . 0.0 111.622 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.01 81.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.528 0.731 . . . . 0.0 111.856 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 49' ' ' LEU . 1.4 tp -82.7 -43.57 16.71 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.9 -34.86 63.53 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.368 0.667 . . . . 0.0 111.504 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.53 -33.52 75.22 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.762 0.664 . . . . 0.0 110.684 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -73.77 -53.77 9.54 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.332 0.653 . . . . 0.0 109.584 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.38 -33.86 76.45 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.599 -175.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' A' ' 96' ' ' LEU . 46.3 ptt85 -72.22 -29.95 64.45 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 123.542 0.526 . . . . 0.0 111.799 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -63.02 -42.34 99.77 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.797 0.439 . . . . 0.0 110.359 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -82.7 -42.21 18.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.612 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 96' ' ' LEU . 19.2 m-20 -137.78 88.39 2.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.785 0.834 . . . . 0.0 109.439 -176.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -72.62 -11.61 60.71 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.718 0.807 . . . . 0.0 112.166 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.1 10.85 3.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.367 1.067 . . . . 0.0 112.302 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -72.87 145.21 47.06 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.942 0.401 . . . . 0.0 110.402 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -104.07 125.78 50.68 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 84.0 t -101.18 114.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.96 113.69 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -90.41 108.09 19.56 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.413 0.625 . . . . 0.0 109.882 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 40' ' ' GLN . 48.1 pt -104.76 135.92 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 34.4 tt0 -106.4 117.94 35.35 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.4 t -169.4 164.09 10.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.055 0.942 . . . . 0.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.32 -38.16 10.65 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.886 0.875 . . . . 0.0 109.971 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -101.72 136.54 41.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.588 1.155 . . . . 0.0 109.705 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -106.17 -36.79 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 122.545 0.338 . . . . 0.0 111.468 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.8 -31.05 76.81 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 123.442 0.464 . . . . 0.0 114.035 -168.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -78.07 -21.15 51.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.119 0.568 . . . . 0.0 112.529 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.558 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -128.05 4.03 5.88 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.374 0.67 . . . . 0.0 112.545 -169.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 106' ' ' ILE . 52.5 tp -167.33 132.21 1.97 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.199 0.999 . . . . 0.0 109.042 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -89.93 133.79 34.58 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.71 0.804 . . . . 0.0 110.644 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.438 HD11 HG12 ' A' ' 106' ' ' ILE . 20.7 mt -134.31 155.06 50.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.003 0.921 . . . . 0.0 110.23 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.05 -17.16 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.359 1.063 . . . . 0.0 110.018 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -86.58 -63.94 1.23 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.72 0.808 . . . . 0.0 111.094 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.459 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 31.0 mm-40 -62.37 130.23 93.05 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 122.789 0.436 . . . . 0.0 111.239 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.96 117.94 4.98 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.503 2.136 . . . . 0.0 110.79 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -75.5 -29.93 59.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.482 0.713 . . . . 0.0 110.77 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.21 1.004 . . . . 0.0 108.777 177.131 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 ttm . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -75.05 116.8 16.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.421 0.688 . . . . 0.0 109.173 170.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.545 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -158.65 -174.56 4.84 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.07 0.948 . . . . 0.0 109.829 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mttt -67.07 161.52 24.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.144 0.577 . . . . 0.0 111.735 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 36' ' ' ILE . 4.6 m -56.47 -45.65 80.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 109.797 164.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -57.12 -46.48 82.6 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 126.169 1.787 . . . . 0.0 112.316 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.545 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.2 tpt -77.04 -26.83 54.1 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -72.65 -47.53 46.83 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.84 -39.58 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 123.703 0.627 . . . . 0.0 110.692 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -63.66 -51.11 66.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.705 0.628 . . . . 0.0 109.69 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.27 -34.61 73.98 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.677 0.791 . . . . 0.0 111.93 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.13 -40.89 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.74 1.216 . . . . 0.0 109.898 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 16' ' ' VAL . 96.6 mt -60.59 -44.56 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.076 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -73.08 -24.49 60.67 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 122.155 -0.34 . . . . 0.0 110.786 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 27.1 mtp180 -62.03 -45.7 92.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.714 0.406 . . . . 0.0 110.314 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 109' ' ' LEU . 4.2 m -73.36 -38.12 52.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -176.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -68.33 -28.61 67.3 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.938 0.495 . . . . 0.0 110.78 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.13 63.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.168 0.587 . . . . 0.0 111.38 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 -21.06 18.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.573 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.38 2.8 31.15 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-O 119.968 -0.351 . . . . 0.0 113.818 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 -174.4 47.31 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.397 0.522 . . . . 0.0 113.603 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -117.29 156.75 27.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.704 1.202 . . . . 0.0 109.823 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -161.81 157.41 24.08 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.413 0.685 . . . . 0.0 111.788 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.38 132.64 2.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.748 0.819 . . . . 0.0 110.829 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 13' ' ' ILE . 52.9 t -75.35 101.77 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.482 0.713 . . . . 0.0 110.454 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -74.21 -59.05 2.9 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.74 0.816 . . . . 0.0 110.896 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -109.59 147.81 32.37 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.382 0.673 . . . . 0.0 110.066 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.58 122.94 21.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.027 0.931 . . . . 0.0 110.771 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.4 -134.7 6.06 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.575 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 130.97 42.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.469 0.708 . . . . 0.0 110.435 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 46.6 mt-10 -56.96 -50.91 71.21 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.76 -48.66 5.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.09 2.93 35.4 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 144.98 44.97 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 123.363 0.414 . . . . 0.0 114.022 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.47 157.47 35.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.373 0.669 . . . . 0.0 110.19 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 5' ' ' SER . 9.4 mm -127.39 137.98 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 59.2 m-85 -133.57 112.96 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.379 1.071 . . . . 0.0 108.977 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.85 129.79 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.9 0.88 . . . . 0.0 109.316 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -106.71 126.45 52.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' OE1' ' HB ' ' A' ' 106' ' ' ILE . 37.6 tt0 -98.59 115.07 27.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.553 0.341 . . . . 0.0 110.204 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -88.8 113.82 24.76 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.79 157.58 34.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.233 1.013 . . . . 0.0 110.945 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -14.85 62.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.346 0.659 . . . . 0.0 111.846 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.14 -16.83 64.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 0.0 111.705 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 31.99 25.74 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -124.67 170.75 10.67 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 109.253 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -135.69 158.65 43.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.066 0.946 . . . . 0.0 110.184 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 14.8 m120 -113.82 174.72 5.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.996 1.319 . . . . 0.0 108.238 169.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 82' ' ' ILE . 13.7 tp -142.85 137.36 29.54 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 170.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 50.8 m-85 -132.13 117.19 17.97 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.72 179.55 21.32 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.407 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 5.1 Cg_exo -72.69 111.1 3.16 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.441 2.094 . . . . 0.0 109.314 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.36 34.91 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.059 0.849 . . . . 0.0 112.062 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.19 74.09 1.51 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.703 2.269 . . . . 0.0 109.504 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.78 162.26 27.81 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.073 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -74.99 74.95 2.2 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 20.4 p90 -92.79 89.94 6.83 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.83 97.22 0.33 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.23 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.09 33.12 7.75 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.506 1.123 . . . . 0.0 110.622 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 1.8 m-20 61.87 25.58 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 124.725 1.21 . . . . 0.0 113.243 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -71.15 -57.25 4.69 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 5.9 m-20 -63.88 -5.5 4.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.0 mm -56.44 -47.02 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.421 0.689 . . . . 0.0 109.964 169.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 mtm -114.34 -35.3 5.01 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.75 1.22 . . . . 0.0 111.203 -176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -78.45 -7.47 57.45 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.071 0.949 . . . . 0.0 110.895 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.81 160.0 41.09 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 124.788 1.235 . . . . 0.0 108.417 169.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.78 135.51 46.74 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -84.75 123.0 29.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.371 0.669 . . . . 0.0 110.275 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.94 153.35 18.26 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.413 ' HB2' HD23 ' A' ' 112' ' ' LEU . 4.0 m-85 -100.31 173.79 6.43 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.618 0.367 . . . . 0.0 110.944 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 16.1 pt-20 -135.68 149.62 49.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.478 1.111 . . . . 0.0 108.444 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -83.07 101.32 11.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -76.24 -48.76 19.15 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.787 0.835 . . . . 0.0 109.687 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -134.53 156.7 48.18 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.625 1.17 . . . . 0.0 108.812 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.91 127.67 7.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.175 0.59 . . . . 0.0 110.657 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.46 26.25 71.74 Favored Glycine 0 C--N 1.352 1.446 0 O-C-N 123.887 0.742 . . . . 0.0 113.897 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.04 -167.56 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.174 0.989 . . . . 0.0 109.448 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 1.8 pm0 -105.8 160.45 15.23 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.277 0.631 . . . . 0.0 110.456 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.13 -16.54 60.12 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.939 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.19 -41.75 89.8 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.793 0.837 . . . . 0.0 110.452 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 35.8 mm-40 -71.17 -37.39 72.17 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.552 0.741 . . . . 0.0 111.16 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 49' ' ' LEU . 37.3 mm -61.1 -53.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.32 72.47 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.059 0.944 . . . . 0.0 111.856 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.62 88.63 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.871 0.732 . . . . 0.0 111.529 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.61 -44.25 17.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 123.16 0.287 . . . . 0.0 111.23 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.0 mt -53.45 -33.67 55.03 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.125 0.57 . . . . 0.0 111.654 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.38 -32.53 64.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.793 0.683 . . . . 0.0 110.585 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.31 -48.33 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.428 0.632 . . . . 0.0 109.516 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.22 -51.39 63.92 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.65 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ptt85 -59.0 -29.78 67.49 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.85 -45.17 93.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.785 0.834 . . . . 0.0 111.025 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -87.82 -44.0 11.43 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.097 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.75 102.25 6.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.934 1.294 . . . . 0.0 109.242 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.8 t -70.73 -17.42 62.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.405 1.082 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -76.31 0.05 20.76 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.42 159.39 29.47 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.724 0.773 . . . . 0.0 112.019 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.85 148.18 42.36 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.439 1.495 . . . . 0.0 108.281 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 90.9 t -122.94 126.52 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.17 117.0 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.1 pt-20 -87.98 112.21 22.34 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 23' ' ' ALA . 31.8 pt -102.8 159.84 4.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -138.86 118.38 12.94 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.5 t -172.4 165.55 5.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.972 0.909 . . . . 0.0 108.921 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.27 -31.22 17.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.483 0.713 . . . . 0.0 110.786 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -123.93 133.94 53.62 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.718 0.807 . . . . 0.0 110.68 -174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.513 ' HB ' ' OE1' ' A' ' 40' ' ' GLN . 9.8 tp -95.04 -34.53 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.723 0.809 . . . . 0.0 111.075 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.93 -21.2 63.19 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 -164.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -86.01 -34.74 20.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 117.124 0.462 . . . . 0.0 111.448 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.532 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -112.47 3.21 16.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.607 0.763 . . . . 0.0 112.801 -167.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 tp -168.04 146.48 4.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.9 0.88 . . . . 0.0 109.305 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.4 m -103.59 134.38 47.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.098 0.559 . . . . 0.0 111.341 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLN . 33.8 mt -121.69 157.65 30.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.022 0.929 . . . . 0.0 110.104 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.0 m -91.8 -12.71 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.74 0.816 . . . . 0.0 110.004 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -95.64 -76.55 0.5 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.221 0.608 . . . . 0.0 110.656 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.531 ' HB2' HD12 ' A' ' 112' ' ' LEU . 27.6 mm-40 -68.85 147.97 97.91 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 0.0 111.713 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.61 146.59 33.71 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.756 2.97 . . . . 0.0 112.538 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -88.94 -20.24 24.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.566 0.746 . . . . 0.0 110.584 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 123.717 0.807 . . . . 0.0 109.183 177.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 81.3 mtm180 62.7 89.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.257 1.023 . . . . 0.0 111.036 -173.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -146.62 173.51 12.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.787 1.235 . . . . 0.0 109.594 -175.595 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.5 ptpp? -80.08 173.07 12.97 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.384 0.428 . . . . 0.0 110.38 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.612 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.7 m -58.18 -45.22 87.89 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.095 0.958 . . . . 0.0 111.756 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.59 -50.09 75.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.91 1.284 . . . . 0.0 111.235 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.416 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.8 tpt -74.18 -23.86 59.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.83 -174.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.08 -46.05 79.07 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.4 -40.75 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.584 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 26.0 t -58.48 -41.25 84.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.165 0.586 . . . . 0.0 110.124 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.66 -35.38 67.71 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.914 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.181 0.992 . . . . 0.0 111.091 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.72 -46.46 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 10' ' ' SER . 3.7 mpt_? -69.84 -29.6 66.9 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.269 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 77.4 mtt180 -61.5 -48.36 81.41 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.176 0.59 . . . . 0.0 110.558 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 109' ' ' LEU . 4.3 m -73.06 -37.37 53.06 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.075 -174.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -68.17 -30.09 69.12 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.72 0.408 . . . . 0.0 110.695 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.49 76.02 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.924 0.49 . . . . 0.0 110.277 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.17 53.35 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.085 0.954 . . . . 0.0 112.1 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.72 -8.74 47.19 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.9 -0.389 . . . . 0.0 113.677 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.49 -173.04 41.82 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 123.523 0.19 . . . . 0.0 113.322 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 88.9 t80 -119.81 157.43 28.67 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.445 1.098 . . . . 0.0 108.921 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.33 158.4 35.93 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.089 0.555 . . . . 0.0 111.066 173.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.27 134.2 2.83 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.304 1.003 . . . . 0.0 109.829 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -78.95 98.93 2.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.996 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -70.22 -59.45 2.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.38 0.672 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -111.75 145.82 38.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.549 0.74 . . . . 0.0 109.55 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -119.91 139.21 52.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.498 1.119 . . . . 0.0 108.912 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.29 -137.31 4.26 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-O 119.811 -0.439 . . . . 0.0 112.056 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.87 129.54 37.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.303 0.641 . . . . 0.0 110.074 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.96 -41.02 52.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.872 0.469 . . . . 0.0 111.972 -169.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -84.23 -50.39 7.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.789 0.436 . . . . 0.0 111.86 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.49 14.45 13.66 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.46 150.76 43.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 113.831 0.292 . . . . 0.0 113.831 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.23 157.65 37.32 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 171.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -136.74 106.31 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 68.3 m-85 -109.07 112.42 24.59 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 109.559 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -107.35 126.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 124.704 1.201 . . . . 0.0 108.728 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 4.2 ptm180 -107.83 108.23 19.33 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.984 0.914 . . . . 0.0 108.732 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.0 tt0 -82.85 110.03 17.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.493 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 42.2 ttm180 -76.72 102.65 6.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.372 0.669 . . . . 0.0 109.469 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.06 144.71 56.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.471 0.709 . . . . 0.0 109.761 174.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.8 -17.24 64.49 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.122 0.569 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.17 -13.61 60.47 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.632 0.773 . . . . 0.0 111.727 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.17 14.14 46.4 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -101.32 179.52 4.34 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.524 0.729 . . . . 0.0 109.158 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 26.3 mt-10 -146.08 144.33 29.96 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.433 0.635 . . . . 0.0 110.971 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -112.88 161.39 17.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.58 1.152 . . . . 0.0 107.893 169.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -129.41 141.67 50.99 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 175.235 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 73.2 m-85 -131.24 146.68 52.41 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.79 1.236 . . . . 0.0 108.76 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.77 165.22 27.29 Favored Glycine 0 N--CA 1.464 0.526 0 CA-C-O 119.288 -0.729 . . . . 0.0 111.651 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 108.82 2.1 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.574 2.183 . . . . 0.0 111.222 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 154.3 85.94 Favored Pre-proline 0 C--O 1.247 0.94 0 C-N-CA 123.583 0.753 . . . . 0.0 110.961 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.63 114.7 2.66 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.449 2.1 . . . . 0.0 110.157 172.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -64.24 133.99 53.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.895 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.3 m -78.41 92.62 4.61 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.489 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 47.7 p90 -119.95 146.53 45.73 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.895 0.478 . . . . 0.0 111.767 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.77 100.69 9.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.073 0.949 . . . . 0.0 108.479 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 t70 61.31 38.76 16.15 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.895 1.278 . . . . 0.0 111.181 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 69.89 9.46 7.13 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.752 1.621 . . . . 0.0 113.875 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -65.52 -50.9 63.52 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.546 0.338 . . . . 0.0 111.116 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 2.6 m-20 -67.6 -9.42 42.73 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.655 0.782 . . . . 0.0 113.011 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.64 -34.91 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 121.624 0.726 . . . . 0.0 109.782 170.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.3 mtm -102.77 -26.19 13.24 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 111.403 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -74.79 -27.28 60.25 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 120.52 0.2 . . . . 0.0 110.689 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.3 152.84 35.11 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.219 1.007 . . . . 0.0 109.179 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -73.02 149.04 43.58 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.014 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.24 121.49 16.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 109.919 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -72.46 167.29 20.89 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.327 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 173.9 6.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.163 0.585 . . . . 0.0 110.852 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.91 160.08 41.89 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 109.49 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.7 m -92.4 105.52 17.69 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.191 0.596 . . . . 0.0 109.525 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 30.1 mmm180 -74.85 -63.57 1.23 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.586 0.754 . . . . 0.0 109.853 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -114.11 160.2 19.19 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.43 0.692 . . . . 0.0 109.493 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.35 121.42 6.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.641 0.376 . . . . 0.0 111.386 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.95 26.61 72.19 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.548 172.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.36 -168.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.442 1.097 . . . . 0.0 110.182 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.6 170.59 7.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.16 0.584 . . . . 0.0 110.875 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -18.33 63.79 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.979 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.58 -42.06 74.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.637 0.775 . . . . 0.0 110.32 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.77 -36.9 73.28 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.621 0.769 . . . . 0.0 110.729 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.0 mm -61.37 -56.26 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.704 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.87 70.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 0.0 111.346 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -59.24 -44.71 92.34 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.883 0.739 . . . . 0.0 110.813 176.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.438 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.62 -41.26 32.06 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.235 0.335 . . . . 0.0 111.252 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.59 -33.82 64.28 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.176 0.59 . . . . 0.0 111.103 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.99 56.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.274 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 28.9 mtp180 -74.4 -39.36 62.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.807 0.443 . . . . 0.0 110.133 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -75.22 -38.8 60.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -65.6 -28.74 69.35 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.357 0.411 . . . . 0.0 111.4 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -60.25 -43.08 96.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.932 0.893 . . . . 0.0 111.034 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -82.4 -53.98 5.58 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.14 100.61 5.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.015 0.926 . . . . 0.0 109.666 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -74.31 -1.99 23.19 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.378 0.671 . . . . 0.0 110.442 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.9 4.49 5.25 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.442 1.497 . . . . 0.0 112.452 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -78.61 150.61 32.66 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 118.237 0.471 . . . . 0.0 110.417 176.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -105.82 126.07 51.73 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.67 118.21 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.73 117.42 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.9 pt-20 -86.96 122.86 31.4 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 173.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 23' ' ' ALA . 45.5 pt -118.8 120.85 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.81 101.73 13.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.1 t -157.23 157.91 35.17 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.527 0.679 . . . . 0.0 111.098 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.67 -29.03 40.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.817 1.247 . . . . 0.0 111.664 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.79 -175.67 3.8 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.573 0.749 . . . . 0.0 110.549 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tp -132.75 -23.06 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.667 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.78 -34.42 82.9 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -162.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -83.99 -17.09 41.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.945 0.498 . . . . 0.0 112.327 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD13 HG12 ' A' ' 16' ' ' VAL . 3.1 pp -127.31 4.71 6.32 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -166.118 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.8 tp -167.29 131.72 1.91 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.031 0.932 . . . . 0.0 109.127 172.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -92.11 130.99 37.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.466 0.706 . . . . 0.0 110.361 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.7 158.7 37.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.977 0.911 . . . . 0.0 110.481 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.15 -27.27 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.131 0.972 . . . . 0.0 109.753 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.69 -67.3 0.68 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 110.505 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -65.09 143.47 98.87 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.822 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.71 157.05 44.39 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.926 2.417 . . . . 0.0 112.715 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.88 -19.33 61.31 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.143 173.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 C-N-CA 123.949 0.9 . . . . 0.0 109.13 172.323 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 27.3 mmt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.441 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 68.9 mtm180 61.05 27.76 17.57 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.803 1.241 . . . . 0.0 111.726 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -89.64 170.64 10.29 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.502 -176.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 16.4 ptpt -78.63 178.77 7.57 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.394 0.678 . . . . 0.0 111.564 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -56.73 -53.85 52.97 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.383 1.073 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.08 -54.49 46.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.931 1.292 . . . . 0.0 111.084 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 3' ' ' LEU . 7.5 tpt -66.37 -27.56 67.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.751 -175.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.47 -48.81 66.08 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.74 -48.44 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 0.0 111.44 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 45.9 m -57.92 -41.84 83.54 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.525 0.73 . . . . 0.0 111.019 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.92 -33.88 66.23 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.666 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.5 -41.45 93.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.111 1.364 . . . . 0.0 110.771 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 84.0 mt -65.43 -35.57 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.235 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.7 mpt_? -74.47 -29.06 61.3 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.172 0.589 . . . . 0.0 111.386 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 50.1 mtt180 -61.87 -43.4 98.91 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.326 0.65 . . . . 0.0 111.305 177.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 4.5 m -72.33 -36.63 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.91 -176.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.76 -29.66 68.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.789 0.436 . . . . 0.0 110.063 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.1 77.37 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.554 0.534 . . . . 0.0 110.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -9.79 58.71 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.687 0.795 . . . . 0.0 111.854 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.02 -9.93 65.73 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.946 -0.363 . . . . 0.0 113.421 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.24 -176.99 50.52 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.5 t80 -112.82 153.83 27.23 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.832 0.853 . . . . 0.0 110.47 -173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.08 163.9 31.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 111.749 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 135.77 0.24 Allowed 'General case' 0 C--N 1.35 0.605 0 O-C-N 125.005 1.44 . . . . 0.0 108.81 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.89 119.77 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.187 0.518 . . . . 0.0 110.09 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -80.93 -66.08 0.93 Allowed 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.334 1.054 . . . . 0.0 110.503 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -99.64 142.86 30.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 110.648 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -120.53 132.72 55.31 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.318 1.047 . . . . 0.0 109.449 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.01 -134.02 4.2 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-O 119.917 -0.38 . . . . 0.0 112.54 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.66 132.84 35.31 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.381 0.672 . . . . 0.0 110.613 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -69.37 -41.23 76.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.605 0.762 . . . . 0.0 112.703 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -90.92 -55.67 3.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.099 0.56 . . . . 0.0 112.098 -173.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.36 20.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.775 0.83 . . . . 0.0 112.736 -168.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.67 150.81 49.92 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.001 0.188 . . . . 0.0 113.507 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 162.87 28.43 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 5' ' ' SER . 15.3 mm -137.76 105.08 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 96' ' ' LEU . 52.0 m-85 -107.67 113.35 26.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.408 0.623 . . . . 0.0 109.654 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.35 130.06 61.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 C-N-CA 124.2 1.0 . . . . 0.0 109.099 -172.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 7.1 ptp180 -106.0 128.23 53.69 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.74 120.04 41.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 109.884 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 29.3 ttp180 -80.88 113.86 19.38 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -76.94 155.54 32.67 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.504 0.722 . . . . 0.0 109.818 172.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -68.64 -17.98 64.2 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.023 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -64.42 -21.68 66.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 111.809 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.82 -15.37 44.75 Favored Glycine 0 C--N 1.343 0.947 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -83.74 178.54 7.89 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.913 0.885 . . . . 0.0 111.478 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 40.0 mt-10 -142.75 146.14 34.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.468 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -104.58 164.28 11.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.611 167.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -131.64 141.08 49.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 173.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 56.0 m-85 -127.19 153.38 46.14 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 124.422 1.089 . . . . 0.0 108.488 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.37 166.05 30.04 Favored Glycine 0 N--CA 1.459 0.206 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 112.53 3.06 Favored 'Trans proline' 0 C--N 1.364 1.369 0 C-N-CA 121.922 1.748 . . . . 0.0 110.531 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.96 148.55 87.94 Favored Pre-proline 0 N--CA 1.473 0.722 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.042 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.74 91.27 0.07 OUTLIER 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.6 117.97 4.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.04 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 p -74.07 79.06 1.72 Allowed 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.617 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 27.3 p90 -91.72 142.4 27.64 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.581 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.19 115.62 26.33 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.151 0.98 . . . . 0.0 108.741 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 63.42 23.64 13.79 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.984 1.313 . . . . 0.0 111.993 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 64.02 16.68 10.11 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.352 1.061 . . . . 0.0 113.163 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.25 -54.09 6.31 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 18.8 t70 -57.54 -16.12 9.13 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.934 1.294 . . . . 0.0 113.282 -175.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -47.82 -51.13 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.658 1.183 . . . . 0.0 111.332 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.48 -18.96 10.27 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.797 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -72.94 -14.5 61.47 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 122.609 0.364 . . . . 0.0 111.105 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.97 155.84 45.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.318 1.047 . . . . 0.0 109.155 171.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' H ' ' A' ' 2' ' ' ARG . 27.7 tt0 -85.38 140.92 30.37 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.559 0.344 . . . . 0.0 110.142 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -66.84 123.45 20.2 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.974 0.796 . . . . 0.0 109.659 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -94.41 154.77 17.29 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -101.1 175.99 5.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.437 0.695 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -144.59 160.67 40.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.912 1.285 . . . . 0.0 108.781 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.1 m -93.96 100.9 12.97 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.51 -54.08 19.13 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.532 0.733 . . . . 0.0 110.523 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -121.23 155.86 33.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 0.0 109.374 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.38 123.92 12.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.563 0.345 . . . . 0.0 111.006 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.19 30.19 77.21 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.987 0.805 . . . . 0.0 114.008 172.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.55 159.08 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.881 0.873 . . . . 0.0 110.145 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 13.4 pt-20 -72.02 166.26 22.59 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.124 0.569 . . . . 0.0 111.288 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -20.95 65.81 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.237 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 15.8 tp10 -57.96 -48.63 79.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.064 0.945 . . . . 0.0 110.066 172.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.5 -34.76 72.71 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.651 0.78 . . . . 0.0 111.895 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.9 mm -65.06 -52.56 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 122.868 0.467 . . . . 0.0 110.003 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -29.36 69.86 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.358 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -61.59 -39.26 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.746 0.654 . . . . 0.0 111.09 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -80.94 -43.83 19.16 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 123.061 0.226 . . . . 0.0 111.512 176.416 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.53 -28.07 65.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.899 0.479 . . . . 0.0 111.319 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -36.07 64.9 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.654 0.596 . . . . 0.0 109.996 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 75.0 mtp180 -74.48 -35.82 63.27 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.223 0.609 . . . . 0.0 110.969 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -74.18 -44.86 51.82 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.243 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -65.06 -29.03 69.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.402 0.439 . . . . 0.0 111.614 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.31 -48.15 79.28 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.692 0.797 . . . . 0.0 110.488 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -86.16 -20.36 28.72 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.49 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -166.43 101.79 0.61 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.142 0.977 . . . . 0.0 108.575 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 t -77.31 -1.88 32.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.662 . . . . 0.0 111.656 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.03 14.8 11.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.094 0.558 . . . . 0.0 112.421 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 37' ' ' PHE . 2.6 pt? -77.12 151.61 35.3 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 166.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -105.94 124.26 49.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 86.1 t -98.21 116.12 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.83 119.47 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.7 pt-20 -87.22 107.9 18.69 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.72 157.63 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 169.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 1.5 tm-20 -142.48 107.57 4.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -171.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -172.35 164.52 5.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.729 0.812 . . . . 0.0 109.816 -172.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -92.63 -29.34 16.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.794 0.838 . . . . 0.0 111.029 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.15 148.91 39.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 110.203 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 112' ' ' LEU . 9.8 tp -114.58 -35.16 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.02 -29.49 74.51 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -80.44 -10.93 59.74 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.71 0.804 . . . . 0.0 112.477 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 16' ' ' VAL . 2.5 pp -138.19 -0.64 2.02 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -171.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 106' ' ' ILE . 56.5 tp -163.67 138.81 6.25 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.228 1.011 . . . . 0.0 108.989 174.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -99.94 132.36 45.34 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.645 0.778 . . . . 0.0 111.088 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD11 HG12 ' A' ' 106' ' ' ILE . 21.8 mt -130.18 147.98 51.97 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.854 0.862 . . . . 0.0 111.117 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 22.7 m -81.11 -26.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.199 1.0 . . . . 0.0 109.828 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -82.91 -67.14 0.81 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.984 0.914 . . . . 0.0 110.666 -171.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.74 148.73 98.49 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 122.87 0.468 . . . . 0.0 110.359 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.66 165.26 26.05 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.433 2.089 . . . . 0.0 112.538 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -78.75 -176.65 5.04 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 123.229 0.612 . . . . 0.0 109.462 -178.712 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 mtt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 60.23 82.68 0.15 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.011 0.924 . . . . 0.0 109.856 -171.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -140.57 178.31 7.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.976 -172.537 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.6 mtmm -80.39 168.34 19.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.047 0.539 . . . . 0.0 111.39 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' ILE . 15.8 m -60.59 -44.42 96.25 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.418 1.087 . . . . 0.0 111.694 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.39 -35.31 80.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpt -75.25 -28.45 59.86 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.523 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 3' ' ' LEU . 72.0 t80 -75.76 -48.29 22.4 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.722 0.409 . . . . 0.0 109.963 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -60.37 -43.64 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.644 0.59 . . . . 0.0 110.414 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 45.1 t -59.68 -47.45 85.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.921 0.763 . . . . 0.0 110.246 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.08 -34.98 79.71 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.838 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.65 -40.35 88.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 109.689 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.532 HD11 HG23 ' A' ' 25' ' ' VAL . 83.8 mt -63.23 -33.66 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.667 177.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' SER . 17.8 mmt180 -71.06 -34.13 70.93 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.066 -0.396 . . . . 0.0 110.161 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 92.6 mtt180 -64.68 -43.03 94.84 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.681 0.613 . . . . 0.0 110.624 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -73.27 -39.85 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.878 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.52 -32.45 71.3 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.25 77.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.03 0.532 . . . . 0.0 111.068 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.19 -24.84 54.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.684 0.793 . . . . 0.0 111.457 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.8 -8.48 23.7 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 123.287 0.47 . . . . 0.0 113.332 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.75 -166.3 35.03 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.349 0.5 . . . . 0.0 113.381 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -128.24 158.23 38.71 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.348 1.059 . . . . 0.0 108.949 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 160.0 38.53 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.637 0.775 . . . . 0.0 110.367 173.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.5 125.78 1.05 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.4 1.063 . . . . 0.0 109.292 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 13' ' ' ILE . 85.2 t -73.1 104.61 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.46 -66.38 0.56 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.958 0.503 . . . . 0.0 109.682 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 61.1 tttp -102.33 143.83 31.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.725 0.81 . . . . 0.0 110.438 -175.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -124.96 138.45 54.23 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.997 0.919 . . . . 0.0 109.622 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.6 -132.52 3.37 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.04 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.39 127.31 32.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.688 0.795 . . . . 0.0 111.386 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 52.0 mt-10 -63.67 -40.42 96.77 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.022 0.929 . . . . 0.0 112.683 -173.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.0 -50.73 4.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.57 0.748 . . . . 0.0 112.021 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.82 28.23 8.66 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 0.0 112.332 -168.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.58 140.05 19.29 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 116.686 -0.234 . . . . 0.0 112.631 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -67.58 152.92 44.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.5 mm -124.79 113.92 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.6 m-85 -114.38 112.65 23.38 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.977 0.911 . . . . 0.0 109.877 176.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.17 130.73 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 108.963 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.25 121.64 45.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.015 0.926 . . . . 0.0 108.917 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 3.8 tp60 -92.21 115.49 28.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.729 1.211 . . . . 0.0 110.396 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' A' ' 102' ' ' GLU . 28.1 ttm180 -89.54 100.32 13.15 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.69 145.93 51.96 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -62.96 -15.44 55.89 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.53 -24.68 67.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.059 0.944 . . . . 0.0 111.842 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.16 1.74 56.95 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -169.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -91.78 170.71 9.68 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.95 0.9 . . . . 0.0 109.053 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 35.1 mt-10 -143.15 145.88 33.22 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.224 0.61 . . . . 0.0 110.973 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.581 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.6 m-20 -107.96 170.72 7.82 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.406 1.083 . . . . 0.0 108.333 167.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.9 141.25 34.58 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.161 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 42.4 m-85 -129.58 147.6 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.098 0.959 . . . . 0.0 108.902 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.54 166.83 25.73 Favored Glycine 0 N--CA 1.46 0.259 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.36 118.76 5.87 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 122.488 2.125 . . . . 0.0 110.796 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 141.46 91.1 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.91 96.72 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.512 2.141 . . . . 0.0 110.917 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -65.21 154.64 37.47 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.989 -175.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 m -75.37 89.4 2.62 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -105.48 133.21 50.61 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.954 0.502 . . . . 0.0 110.755 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.8 125.49 53.63 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.275 1.03 . . . . 0.0 108.528 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.35 17.35 10.67 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.779 1.232 . . . . 0.0 111.783 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 59.84 21.8 10.71 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.103 0.961 . . . . 0.0 112.353 -176.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.46 -49.13 13.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.889 0.376 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.0 m-20 -59.8 -15.18 18.57 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -48.38 -43.54 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.55 1.14 . . . . 0.0 111.819 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -121.6 -10.22 8.83 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 111.11 178.261 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 18.7 mmm-85 -88.14 -5.53 58.38 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.605 0.762 . . . . 0.0 111.582 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.18 138.84 22.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.181 0.992 . . . . 0.0 109.787 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -80.53 119.91 23.82 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.313 0.645 . . . . 0.0 109.311 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -75.61 143.03 42.52 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.994 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.27 161.13 18.15 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 4.1 m-85 -100.2 174.71 6.02 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.242 0.617 . . . . 0.0 110.599 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -138.05 167.53 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.244 1.417 . . . . 0.0 108.346 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -102.54 102.05 12.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 10.8 mmt180 -63.59 -59.71 4.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.569 0.748 . . . . 0.0 109.973 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.1 mt -122.1 155.38 35.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.744 0.817 . . . . 0.0 109.475 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.94 121.41 9.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.561 0.345 . . . . 0.0 111.356 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.05 31.54 72.39 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 123.907 0.754 . . . . 0.0 113.503 173.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.01 -177.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.495 1.118 . . . . 0.0 109.795 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.0 pt-20 -93.94 167.34 11.67 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.605 0.362 . . . . 0.0 110.097 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -23.64 65.95 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 114.601 0.6 . . . . 0.0 114.601 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.25 -42.54 72.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.858 0.463 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 15.8 mm-40 -61.15 -38.03 84.98 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.982 0.513 . . . . 0.0 110.212 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.537 ' HA ' HD12 ' A' ' 49' ' ' LEU . 50.5 mm -60.38 -57.07 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.275 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -26.99 68.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.653 0.781 . . . . 0.0 111.719 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.42 71.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.651 0.781 . . . . 0.0 111.303 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tt -81.29 -36.48 29.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.086 0.154 . . . . 0.0 110.771 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 95.3 mt -60.11 -27.05 66.71 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.99 0.516 . . . . 0.0 109.964 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.82 -44.9 72.53 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.221 1.409 . . . . 0.0 110.29 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -66.48 -47.52 72.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.682 0.393 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.14 -37.59 78.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.576 0.751 . . . . 0.0 112.102 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -66.01 -28.59 68.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.305 0.378 . . . . 0.0 110.975 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -60.44 -35.18 75.21 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -94.0 -51.6 4.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.857 0.863 . . . . 0.0 110.279 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -120.47 94.03 4.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.909 1.283 . . . . 0.0 109.834 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.3 t -66.81 -15.7 63.77 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 121.231 0.539 . . . . 0.0 109.72 166.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.37 -6.55 36.26 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.074 1.35 . . . . 0.0 112.821 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -73.14 154.93 40.14 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.129 0.49 . . . . 0.0 111.317 -175.397 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -116.98 126.89 53.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.283 1.433 . . . . 0.0 108.297 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 57.8 t -100.45 118.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 173.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 25' ' ' VAL . 18.3 t -111.98 118.92 58.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.461 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.44 127.84 34.53 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 171.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.5 pt -120.28 150.45 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.559 ' HG2' ' HD2' ' A' ' 41' ' ' ARG . 1.3 tm-20 -127.73 103.95 7.58 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.094 -1.446 . . . . 0.0 107.094 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 2.0 t -167.58 159.77 12.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.532 1.133 . . . . 0.0 108.871 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.19 -21.66 29.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.172 0.589 . . . . 0.0 110.8 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.82 142.32 48.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.561 0.744 . . . . 0.0 110.477 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.6 tp -101.9 -29.77 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.718 0.807 . . . . 0.0 110.827 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.0 31.36 2.29 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 115.012 0.765 . . . . 0.0 115.012 -170.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -137.47 -4.46 1.85 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.723 0.809 . . . . 0.0 110.147 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.567 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -143.92 1.74 1.15 Allowed 'General case' 0 C--N 1.363 1.168 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -162.86 142.39 9.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.016 0.927 . . . . 0.0 109.197 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 m -104.82 134.49 47.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.22 1.008 . . . . 0.0 110.746 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.17 156.73 44.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.365 1.066 . . . . 0.0 110.502 -173.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.0 -31.3 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.367 1.067 . . . . 0.0 109.951 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.8 -52.25 11.91 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 123.637 0.775 . . . . 0.0 110.193 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.75 143.25 97.98 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.539 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.01 111.81 1.1 Allowed 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.801 2.334 . . . . 0.0 111.558 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -69.36 99.98 1.29 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.956 0.902 . . . . 0.0 108.744 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.302 0 C-N-CA 124.972 1.309 . . . . 0.0 109.778 -168.452 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.642 0.258 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 66' ' ' ALA . 21.6 mtm180 59.37 88.17 0.07 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.261 1.025 . . . . 0.0 110.203 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.77 168.24 11.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -174.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.3 ptpp? -72.08 171.92 11.05 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' HG ' HH12 ' A' ' 68' ' ' ARG . 7.1 m -54.65 -49.13 71.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.292 0.637 . . . . 0.0 112.059 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.03 -55.37 35.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.528 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 tpt -72.39 -24.07 61.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.69 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -71.25 -46.03 61.92 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.68 -47.46 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.889 0.743 . . . . 0.0 109.947 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t -59.34 -37.84 78.87 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.32 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.36 -36.76 63.6 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.319 0.648 . . . . 0.0 111.229 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.91 -38.51 86.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.888 1.275 . . . . 0.0 110.969 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.9 mt -65.54 -35.57 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.586 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -71.81 -32.66 67.82 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.509 0.324 . . . . 0.0 110.529 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 93.8 mtt180 -63.58 -42.95 98.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.367 0.667 . . . . 0.0 110.659 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.7 m -73.63 -43.54 54.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.05 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.93 -35.81 82.37 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.858 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.47 63.14 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.205 0.602 . . . . 0.0 111.634 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.24 -14.61 40.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.455 0.702 . . . . 0.0 111.73 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.04 25.09 7.66 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 122.772 0.225 . . . . 0.0 112.933 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.34 -179.27 16.32 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.798 0.713 . . . . 0.0 112.735 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 87.4 t80 -113.22 158.99 19.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.082 0.953 . . . . 0.0 109.54 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.48 158.39 26.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.194 0.598 . . . . 0.0 111.819 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.91 142.65 2.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.579 1.152 . . . . 0.0 109.28 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -90.94 107.3 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.69 -62.82 1.36 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.408 0.683 . . . . 0.0 111.093 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -109.19 148.15 31.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.003 0.521 . . . . 0.0 110.242 -175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.83 141.35 51.84 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.588 1.155 . . . . 0.0 109.499 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.99 -137.11 4.04 Favored Glycine 0 C--O 1.24 0.524 0 O-C-N 123.525 0.516 . . . . 0.0 111.874 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 127.5 32.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.079 0.551 . . . . 0.0 109.677 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.75 -29.84 62.46 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 123.1 0.56 . . . . 0.0 112.129 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.04 -58.22 2.64 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.128 0.571 . . . . 0.0 111.88 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.02 13.55 14.85 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -169.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.24 148.49 50.86 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 113.572 0.189 . . . . 0.0 113.572 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 162.08 29.93 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mm -135.77 107.45 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.9 m-85 -108.14 112.92 25.68 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.65 136.76 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.7 ptp180 -108.9 117.65 34.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.504 0.722 . . . . 0.0 109.088 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' HG13 ' A' ' 101' ' ' ILE . 41.0 tt0 -87.17 129.81 34.79 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 54.2 ttp180 -104.49 145.13 30.72 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.748 0.419 . . . . 0.0 110.542 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.69 146.96 42.4 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.51 1.124 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HD3' ' H ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -60.48 -21.2 62.12 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.469 1.107 . . . . 0.0 111.583 169.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.65 -15.94 63.68 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.358 1.063 . . . . 0.0 111.48 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.32 -6.33 57.8 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.937 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -92.53 171.58 8.93 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.346 0.658 . . . . 0.0 111.31 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 31.5 mt-10 -149.32 164.62 34.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.785 1.234 . . . . 0.0 110.279 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.8 m-80 -128.52 157.65 40.59 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.955 1.302 . . . . 0.0 107.701 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -126.59 140.25 52.57 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.127 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -128.72 162.04 28.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 108.863 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.83 170.47 33.66 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-O 118.753 -1.026 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.65 117.32 4.52 Favored 'Trans proline' 0 C--N 1.364 1.376 0 CA-C-N 119.932 1.866 . . . . 0.0 110.581 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.89 158.96 73.09 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 123.356 0.662 . . . . 0.0 110.918 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.87 78.75 0.28 Allowed 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.493 2.129 . . . . 0.0 111.417 170.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -76.57 129.61 36.7 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.0 p -69.62 84.4 0.44 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.306 0.642 . . . . 0.0 110.412 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -84.21 137.68 33.37 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.051 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.69 75.9 8.16 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.004 0.922 . . . . 0.0 108.818 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.9 t70 61.66 57.5 2.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.379 1.072 . . . . 0.0 110.092 -174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.57 16.38 8.74 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.274 1.429 . . . . 0.0 114.184 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.1 -57.74 6.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.61 0.364 . . . . 0.0 110.279 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.68 -8.65 10.82 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -63.38 -36.24 75.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.319 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.7 mtm -121.46 -37.74 2.87 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.573 1.149 . . . . 0.0 111.145 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -83.2 -11.07 58.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.825 1.25 . . . . 0.0 110.493 -173.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HA ' ' HD2' ' A' ' 2' ' ' ARG . . . -132.88 156.97 46.22 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 125.2 1.4 . . . . 0.0 107.458 167.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -81.29 114.48 20.11 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.428 HH12 ' HG ' ' A' ' 5' ' ' SER . 10.1 ptp180 -59.6 132.06 52.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.151 0.98 . . . . 0.0 110.393 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -101.96 148.9 24.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.403 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.8 m-85 -100.44 168.66 9.6 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.213 0.605 . . . . 0.0 110.983 -171.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.15 167.51 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.438 1.495 . . . . 0.0 107.812 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.5 m -103.87 104.47 14.47 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 15.3 mmt180 -66.17 -59.4 3.8 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.785 0.834 . . . . 0.0 110.008 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.27 159.88 30.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.237 1.015 . . . . 0.0 109.253 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.67 133.12 11.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.01 29.54 72.92 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 123.732 0.645 . . . . 0.0 113.752 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -178.34 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.621 1.169 . . . . 0.0 109.331 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.14 167.07 12.62 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.774 -0.579 . . . . 0.0 110.131 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.63 70.89 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.822 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -57.78 -46.27 84.82 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.741 0.816 . . . . 0.0 110.467 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.643 0.777 . . . . 0.0 111.124 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.626 HG23 ' HG ' ' A' ' 49' ' ' LEU . 39.8 mm -62.88 -56.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.94 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -23.68 64.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.579 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.88 87.35 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.562 0.745 . . . . 0.0 111.247 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tp -81.28 -39.91 24.52 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.188 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 49' ' ' LEU . 96.4 mt -57.89 -28.31 64.09 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.015 0.526 . . . . 0.0 111.462 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 90' ' ' ARG . 14.5 tp10 -61.46 -45.83 92.62 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.743 1.617 . . . . 0.0 110.951 169.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 73.6 mtp180 -73.81 -50.8 18.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.002 0.921 . . . . 0.0 111.334 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.47 -37.76 88.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.752 1.221 . . . . 0.0 112.09 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 87' ' ' GLU . 11.4 ptt-85 -65.19 -28.91 69.72 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.704 0.627 . . . . 0.0 111.533 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 69.3 ttt180 -66.19 -44.48 83.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.984 0.514 . . . . 0.0 110.621 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.43 -38.93 74.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.713 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -161.09 102.96 1.27 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.909 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 t -77.47 -3.35 40.02 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.261 1.025 . . . . 0.0 112.665 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -83.43 17.96 1.98 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.05 150.36 30.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.06 0.457 . . . . 0.0 110.243 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -107.32 125.39 51.12 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.02 117.18 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.19 118.33 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.597 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 7.1 pt-20 -85.68 105.31 16.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 172.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 40' ' ' GLN . 32.9 pt -108.14 150.1 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 33.5 tt0 -124.16 121.46 35.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 109' ' ' LEU . 8.9 t -169.93 166.41 9.39 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -102.28 -39.4 7.23 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.97 114.5 27.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.225 0.61 . . . . 0.0 109.907 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.489 HG12 HD11 ' A' ' 112' ' ' LEU . 10.1 tp -91.22 -37.21 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.169 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.77 -15.62 64.73 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -170.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.1 t -86.67 -25.02 25.04 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.779 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -122.84 -12.03 8.08 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.4 tp -153.4 130.28 10.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.017 0.927 . . . . 0.0 108.632 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 m -90.61 132.38 35.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.685 0.394 . . . . 0.0 111.303 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.489 HD11 HG12 ' A' ' 106' ' ' ILE . 28.8 mt -126.83 143.56 51.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.938 0.895 . . . . 0.0 110.647 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.71 -23.33 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.281 1.032 . . . . 0.0 110.227 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.28 -59.61 1.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.333 0.653 . . . . 0.0 111.439 -171.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -70.78 164.35 56.47 Favored Pre-proline 0 N--CA 1.485 1.315 0 C-N-CA 123.653 0.781 . . . . 0.0 111.417 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -40.14 138.62 1.15 Allowed 'Trans proline' 0 C--N 1.398 3.178 0 C-N-CA 124.128 3.218 . . . . 0.0 114.514 175.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -62.68 -55.87 22.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.876 1.27 . . . . 0.0 110.637 -172.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-N 114.318 -1.31 . . . . 0.0 107.959 -177.052 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' HD21 ' A' ' 3' ' ' LEU . 15.9 ptp . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.276 0.56 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -83.74 100.37 10.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.756 0.823 . . . . 0.0 109.328 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.558 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -151.02 174.65 12.91 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.8 0.84 . . . . 0.0 111.067 -176.291 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.9 ptpp? -75.71 171.77 13.77 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.846 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.683 ' HB3' HD11 ' A' ' 36' ' ' ILE . 16.2 m -62.55 -44.5 96.18 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.371 1.068 . . . . 0.0 111.705 -175.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.54 -49.39 77.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.562 1.145 . . . . 0.0 111.351 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.558 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.8 tpt -71.7 -23.84 61.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.457 -174.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -72.12 -44.22 63.52 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' SER . 97.9 t -61.55 -49.51 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.774 0.671 . . . . 0.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.1 t -53.15 -49.95 65.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.094 0.871 . . . . 0.0 110.221 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -61.27 -37.22 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.12 -40.59 90.8 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.988 0.915 . . . . 0.0 110.44 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.7 mp -56.34 -47.19 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.3 mpt_? -65.22 -34.28 77.99 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.147 0.579 . . . . 0.0 110.834 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 52.6 mtt180 -61.23 -45.3 95.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.545 0.738 . . . . 0.0 111.211 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -73.02 -36.22 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -69.6 -28.57 66.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.968 0.507 . . . . 0.0 110.905 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.81 69.37 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.218 0.607 . . . . 0.0 110.619 172.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.02 31.05 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.715 0.806 . . . . 0.0 111.156 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.03 -17.39 9.94 Favored Glycine 0 C--N 1.35 1.314 0 C-N-CA 123.359 0.504 . . . . 0.0 113.372 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.07 -175.49 42.36 Favored Glycine 0 C--N 1.348 1.249 0 C-N-CA 123.603 0.621 . . . . 0.0 113.93 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -118.32 154.54 32.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.144 0.978 . . . . 0.0 109.093 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -157.96 164.73 36.54 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.495 0.718 . . . . 0.0 110.866 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 143.38 1.89 Allowed 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.038 0.836 . . . . 0.0 110.324 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.13 105.82 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 122.938 0.495 . . . . 0.0 109.862 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -76.56 -65.43 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.398 0.679 . . . . 0.0 111.085 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 63.8 tttp -102.28 145.93 28.74 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.363 0.665 . . . . 0.0 109.24 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -132.24 126.77 34.26 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.835 0.854 . . . . 0.0 109.705 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.05 -131.42 3.64 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.466 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.87 130.39 35.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.404 0.681 . . . . 0.0 110.62 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.32 -40.96 70.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.089 0.555 . . . . 0.0 112.311 -171.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -95.03 -53.3 3.87 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.3 0.64 . . . . 0.0 111.119 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.88 -8.09 59.28 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.977 0.911 . . . . 0.0 113.396 -168.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.02 155.71 48.18 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.54 18.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.845 0.858 . . . . 0.0 108.984 171.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 5' ' ' SER . 38.3 mm -125.89 124.81 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' HE2' ' HE ' ' A' ' 73' ' ' ARG . 77.4 m-85 -127.13 113.83 16.91 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.471 1.108 . . . . 0.0 108.974 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.63 132.42 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.629 0.772 . . . . 0.0 109.106 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -105.69 146.39 29.83 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.2 tp60 -128.84 146.68 50.86 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.586 1.155 . . . . 0.0 109.677 -169.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -125.64 120.75 31.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.015 0.526 . . . . 0.0 109.689 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.54 152.52 21.06 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.75 0.82 . . . . 0.0 111.047 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.662 HH11 ' HB3' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -51.59 -26.96 9.74 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.062 1.345 . . . . 0.0 113.421 170.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.95 -13.45 62.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.279 1.032 . . . . 0.0 112.304 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.44 68.47 Favored Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -171.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -108.82 163.69 13.05 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.833 0.853 . . . . 0.0 109.341 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.14 148.27 41.41 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.896 0.878 . . . . 0.0 109.634 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 3.8 m-20 -120.06 168.82 10.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.747 0.819 . . . . 0.0 110.419 178.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -141.91 141.99 33.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 48.8 m-85 -126.81 155.25 43.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.092 0.957 . . . . 0.0 109.362 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.08 168.45 29.49 Favored Glycine 0 N--CA 1.463 0.459 0 CA-C-O 119.132 -0.816 . . . . 0.0 111.744 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.59 112.22 3.17 Favored 'Trans proline' 0 C--N 1.365 1.421 0 C-N-CA 122.18 1.92 . . . . 0.0 110.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.15 139.61 90.22 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.804 0.442 . . . . 0.0 110.913 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.13 88.62 1.39 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.922 2.415 . . . . 0.0 111.887 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -69.57 158.87 34.44 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.934 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.8 m -85.57 64.76 8.81 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.625 0.726 . . . . 0.0 109.638 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -74.43 149.69 40.3 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.128 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.22 129.7 51.24 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.763 0.825 . . . . 0.0 109.247 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 63.95 19.02 11.56 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.9 1.28 . . . . 0.0 112.252 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 64.87 13.96 8.9 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.446 1.098 . . . . 0.0 111.097 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -71.66 -61.66 1.7 Allowed 'General case' 0 C--N 1.346 0.448 0 C-N-CA 123.327 0.651 . . . . 0.0 109.985 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.01 -15.94 10.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.501 1.121 . . . . 0.0 113.393 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mm -47.64 -44.32 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.078 1.351 . . . . 0.0 111.583 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.463 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -131.12 -20.78 2.7 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.049 0.94 . . . . 0.0 111.204 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 54.9 mmm-85 -75.22 -2.08 26.3 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.309 0.643 . . . . 0.0 111.101 174.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.71 149.06 41.7 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.532 1.133 . . . . 0.0 108.449 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.06 97.56 0.51 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -54.74 119.35 5.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.154 0.982 . . . . 0.0 110.567 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -83.73 157.45 22.14 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -99.61 173.82 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 110.399 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.64 168.04 19.0 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 125.076 1.35 . . . . 0.0 107.776 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -100.18 106.09 17.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.3 mmt180 -63.47 -57.56 9.83 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.852 0.861 . . . . 0.0 110.145 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.9 mt -126.01 151.92 46.44 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.432 0.693 . . . . 0.0 109.73 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.58 138.34 15.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.111 0.564 . . . . 0.0 110.56 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.74 25.91 72.99 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.847 0.717 . . . . 0.0 113.279 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.69 -169.95 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.833 0.853 . . . . 0.0 109.661 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.0 pt-20 -111.47 170.81 7.87 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.24 0.616 . . . . 0.0 110.428 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.06 -22.35 66.76 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 123.74 0.65 . . . . 0.0 113.979 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.63 -39.66 84.66 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.972 0.509 . . . . 0.0 109.981 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 9.5 mm-40 -69.44 -37.72 77.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.31 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.3 mm -58.85 -56.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.988 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.62 69.4 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.26 0.624 . . . . 0.0 111.597 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.12 99.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.112 0.565 . . . . 0.0 111.193 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.412 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -80.9 -35.78 32.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.335 -179.291 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.6 -30.04 64.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.788 0.435 . . . . 0.0 110.783 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.48 -44.3 71.44 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.051 1.34 . . . . 0.0 110.395 172.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.35 -41.4 80.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.366 0.667 . . . . 0.0 111.715 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.45 -37.16 57.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.605 0.762 . . . . 0.0 111.042 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -64.32 -28.6 69.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 123.422 0.451 . . . . 0.0 111.5 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.56 -35.92 79.14 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.365 0.666 . . . . 0.0 110.478 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -92.75 -30.49 15.49 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.511 0.724 . . . . 0.0 111.301 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -144.38 80.54 1.64 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.587 1.155 . . . . 0.0 109.062 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -69.15 -15.99 63.54 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.199 0.6 . . . . 0.0 110.819 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.47 17.47 4.51 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.29 1.036 . . . . 0.0 111.781 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.64 161.28 27.92 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 109.903 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -117.04 128.81 55.53 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.45 1.1 . . . . 0.0 108.689 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.488 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 93.1 t -99.54 128.28 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.67 125.05 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.7 134.55 33.96 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.8 pt -132.4 126.0 54.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.98 99.68 8.75 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.494 HG23 HE22 ' A' ' 40' ' ' GLN . 3.2 t -162.24 154.09 18.74 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.107 -175.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.662 ' HB3' HH11 ' A' ' 43' ' ' ARG . 35.9 m-20 -98.94 3.75 47.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.924 0.489 . . . . 0.0 111.465 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -145.2 137.99 26.2 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.549 0.739 . . . . 0.0 109.396 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.3 tp -105.65 -40.86 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.405 0.682 . . . . 0.0 111.613 -172.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.59 70.13 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.397 0.436 . . . . 0.0 114.161 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -75.8 -21.59 57.19 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.041 0.936 . . . . 0.0 112.269 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -128.88 1.73 5.36 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.737 0.815 . . . . 0.0 112.796 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 106' ' ' ILE . 57.3 tp -168.38 123.99 0.98 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.392 1.077 . . . . 0.0 108.836 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.5 m -90.67 136.56 32.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.274 0.63 . . . . 0.0 111.156 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 106' ' ' ILE . 21.5 mt -127.01 149.05 50.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.512 1.125 . . . . 0.0 110.362 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.8 m -81.12 -25.66 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.839 0.856 . . . . 0.0 111.154 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -99.06 -58.82 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.836 0.855 . . . . 0.0 111.386 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -73.83 153.93 89.11 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 122.892 0.477 . . . . 0.0 110.549 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.06 149.07 86.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.494 2.13 . . . . 0.0 112.172 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -78.62 -4.05 46.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.573 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.439 0 C-N-CA 123.85 0.86 . . . . 0.0 109.135 173.834 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.1 mtp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -74.01 90.79 2.0 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.586 0.708 . . . . 0.0 109.926 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.421 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -135.93 -175.16 3.88 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.671 1.189 . . . . 0.0 109.326 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 99.3 mttt -74.54 164.59 26.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.975 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.619 ' HB3' HD11 ' A' ' 36' ' ' ILE . 12.5 m -60.97 -35.06 75.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.967 0.907 . . . . 0.0 110.785 173.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.65 -55.6 16.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.724 1.21 . . . . 0.0 110.158 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.421 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.6 tpt -65.07 -26.4 68.22 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.651 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.88 -52.5 56.21 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.748 0.419 . . . . 0.0 110.503 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 13' ' ' ILE . 47.1 t -67.52 -39.96 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.974 0.796 . . . . 0.0 110.535 -176.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -58.09 -39.51 78.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.181 0.592 . . . . 0.0 110.48 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.91 -32.2 61.74 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.379 0.672 . . . . 0.0 111.44 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD11 HG21 ' A' ' 38' ' ' VAL . 3.3 tt -64.37 -44.68 90.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.273 1.029 . . . . 0.0 110.308 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.597 HG22 ' HE ' ' A' ' 14' ' ' ARG . 1.5 mp -56.54 -41.9 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.597 ' HE ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -65.61 -36.12 82.8 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.311 0.644 . . . . 0.0 111.801 177.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.7 mtp180 -63.19 -46.88 84.99 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 23' ' ' ALA . 6.3 m -71.41 -39.8 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -175.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.64 -31.25 71.13 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.375 0.67 . . . . 0.0 110.652 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.38 62.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.151 0.58 . . . . 0.0 110.807 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.84 -2.32 58.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.691 0.796 . . . . 0.0 111.826 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.34 26.78 27.13 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.03 0.206 . . . . 0.0 113.34 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.42 -163.94 13.13 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.366 0.507 . . . . 0.0 112.501 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -129.7 156.02 44.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.48 1.112 . . . . 0.0 109.737 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -162.27 158.7 24.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.831 0.852 . . . . 0.0 110.903 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.76 2.37 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 t -78.49 102.74 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.754 0.821 . . . . 0.0 109.43 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -79.09 -41.27 29.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.505 0.722 . . . . 0.0 111.801 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -128.24 144.22 51.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.251 0.62 . . . . 0.0 109.464 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 84.7 tttt -129.51 120.9 26.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.21 1.004 . . . . 0.0 109.741 -176.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 -142.31 8.89 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.216 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 130.65 44.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.52 0.728 . . . . 0.0 111.178 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 43.5 mt-10 -65.25 -46.15 81.71 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.678 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.14 -42.1 8.76 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.894 0.477 . . . . 0.0 111.596 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.91 21.43 17.41 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.421 0.688 . . . . 0.0 112.849 -167.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.0 145.34 17.74 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 114.092 0.397 . . . . 0.0 114.092 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 159.18 32.43 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 5' ' ' SER . 20.8 mm -133.94 121.43 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.51 113.93 18.1 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.404 1.082 . . . . 0.0 108.885 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 12' ' ' LEU . 43.1 t -113.13 149.54 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.294 1.038 . . . . 0.0 109.206 -175.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 11.2 ptp180 -122.58 120.9 35.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -87.5 121.17 29.59 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 36.2 ttm180 -94.6 129.34 41.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -97.93 167.14 11.1 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.989 0.916 . . . . 0.0 110.605 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.62 -21.12 66.2 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.871 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -23.75 62.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.116 1.367 . . . . 0.0 112.084 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 -3.67 62.53 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.1 170.37 10.08 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.708 0.803 . . . . 0.0 110.638 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.5 mt-10 -144.01 161.21 39.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.751 0.821 . . . . 0.0 111.371 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -111.98 170.9 7.83 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 108.624 173.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 82' ' ' ILE . 17.6 tp -135.85 142.89 44.85 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.67 157.81 42.75 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.594 1.157 . . . . 0.0 108.328 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.53 175.69 30.27 Favored Glycine 0 N--CA 1.465 0.616 0 CA-C-O 118.611 -1.105 . . . . 0.0 110.482 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 120.36 6.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 CA-C-N 120.206 2.003 . . . . 0.0 110.379 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.22 146.62 98.91 Favored Pre-proline 0 C--O 1.244 0.812 0 CA-C-O 119.095 -0.478 . . . . 0.0 109.734 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.34 86.72 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.297 1.998 . . . . 0.0 110.481 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.61 104.08 0.39 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.651 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.8 p -69.94 83.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.846 0.831 . . . . 0.0 110.083 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.86 146.52 51.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.206 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.25 110.46 22.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t70 66.85 26.42 9.32 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.059 0.944 . . . . 0.0 111.815 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 62.97 19.73 11.81 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.481 1.113 . . . . 0.0 112.281 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -66.64 -57.27 7.54 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 122.918 0.487 . . . . 0.0 110.1 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -17.77 9.04 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.834 1.254 . . . . 0.0 114.155 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.9 mm -56.97 -36.12 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.361 1.064 . . . . 0.0 110.886 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -141.65 -5.64 1.04 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.185 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -106.94 -0.72 22.94 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.404 1.081 . . . . 0.0 110.712 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.58 150.26 35.16 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.6 0.76 . . . . 0.0 109.681 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.44 136.67 51.87 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 123.919 0.888 . . . . 0.0 109.099 169.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 133.18 38.27 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -95.06 157.85 15.71 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.9 m-85 -100.9 166.38 10.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.614 0.366 . . . . 0.0 111.152 -173.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 113' ' ' VAL . 12.2 pt-20 -121.97 144.45 48.87 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.654 1.181 . . . . 0.0 108.822 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -87.6 109.64 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -77.03 -67.0 0.75 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.366 0.666 . . . . 0.0 109.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -114.56 160.31 19.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.733 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.55 129.45 9.44 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.077 0.551 . . . . 0.0 110.391 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.04 27.2 73.75 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 123.931 0.769 . . . . 0.0 113.731 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -102.46 -171.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.209 1.004 . . . . 0.0 110.42 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.6 pt-20 -103.6 168.29 9.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.501 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.32 -23.62 64.62 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.86 0.725 . . . . 0.0 114.027 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.22 -39.56 75.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 122.91 0.484 . . . . 0.0 110.539 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 49.9 mm-40 -65.15 -36.06 83.04 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.953 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 49' ' ' LEU . 44.5 mm -62.9 -56.0 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.708 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.92 69.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.86 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.99 84.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.141 0.976 . . . . 0.0 112.468 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -82.78 -41.96 18.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.463 0.173 . . . . 0.0 111.091 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 49' ' ' LEU . 83.4 mt -59.98 -28.57 67.79 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 11.7 pt-20 -69.37 -34.57 74.75 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.701 0.626 . . . . 0.0 110.72 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -77.06 -34.41 57.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.45 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -74.6 -41.33 60.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.552 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -72.05 -28.07 63.1 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.663 0.602 . . . . 0.0 111.328 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 55.2 ttt180 -55.05 -49.42 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.249 1.02 . . . . 0.0 110.159 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -79.39 -48.2 14.42 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.578 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -142.33 99.26 3.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.599 1.16 . . . . 0.0 108.98 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -77.27 -2.57 35.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.324 0.65 . . . . 0.0 111.141 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.74 10.53 3.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.473 0.709 . . . . 0.0 112.179 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -77.87 161.83 27.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.577 0.703 . . . . 0.0 109.618 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.423 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 19.3 m95 -111.5 135.95 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.06 124.27 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.94 129.17 72.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 10.8 pt-20 -98.09 126.52 43.57 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 169.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 35.1 pt -122.87 141.35 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -119.48 108.86 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.7 t -161.34 154.22 20.81 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.141 0.496 . . . . 0.0 110.776 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -74.6 -41.36 60.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.844 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.18 161.62 27.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.289 0.635 . . . . 0.0 110.448 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.422 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -108.72 -24.77 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 123.393 0.677 . . . . 0.0 111.007 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.96 76.51 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.921 0.728 . . . . 0.0 114.921 -165.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -83.92 -25.03 30.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.072 0.549 . . . . 0.0 112.296 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -121.54 1.26 10.07 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -165.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -161.4 148.96 15.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -112.43 131.82 55.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.048 0.539 . . . . 0.0 110.556 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 70' ' ' PHE . 14.1 mt -128.11 167.38 16.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.182 0.993 . . . . 0.0 110.606 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 71' ' ' GLU . 31.0 m -98.69 -11.07 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.039 0.936 . . . . 0.0 110.666 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -109.69 -60.47 1.78 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.006 0.522 . . . . 0.0 111.796 -170.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -62.71 155.32 70.66 Favored Pre-proline 0 N--CA 1.486 1.348 0 C-N-CA 123.358 0.663 . . . . 0.0 112.24 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -48.04 125.44 11.69 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.717 2.945 . . . . 0.0 112.815 167.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -116.3 171.25 7.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.1 0.96 . . . . 0.0 110.619 -177.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 C-N-CA 123.361 0.664 . . . . 0.0 110.79 -178.035 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mmm . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.297 0.094 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.463 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 40.1 mtm180 61.51 88.27 0.09 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.412 1.085 . . . . 0.0 110.626 -172.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.436 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 164.86 28.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.134 -178.27 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 17.2 ptpt -72.33 166.99 21.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 122.434 0.293 . . . . 0.0 110.309 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.639 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.2 m -62.71 -35.98 81.49 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.868 0.867 . . . . 0.0 112.031 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.643 0.777 . . . . 0.0 110.971 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.6 tpt -76.84 -23.91 52.7 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -71.73 -45.66 61.07 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG21 ' CE3' ' A' ' 97' ' ' TRP . 34.3 m -66.61 -39.06 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.72 0.638 . . . . 0.0 111.082 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 m -58.89 -47.38 85.17 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.707 0.63 . . . . 0.0 109.99 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.32 -38.6 81.74 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.385 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.72 -42.34 92.86 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.43 1.092 . . . . 0.0 109.974 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 25' ' ' VAL . 89.1 mt -61.6 -45.33 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.533 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -69.18 -24.84 64.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.253 -0.279 . . . . 0.0 110.987 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.1 mtp180 -67.44 -44.87 77.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.06 0.544 . . . . 0.0 110.973 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -71.72 -36.22 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.573 -177.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 43.8 m-85 -70.03 -27.26 64.52 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.376 0.671 . . . . 0.0 110.65 176.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.99 74.89 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.782 0.433 . . . . 0.0 110.675 169.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.64 -22.76 40.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.271 0.628 . . . . 0.0 111.581 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.17 -0.93 37.91 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 120.08 -0.289 . . . . 0.0 113.177 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.57 -164.14 28.05 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 122.971 0.32 . . . . 0.0 113.622 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.1 t80 -126.76 157.64 38.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.561 1.144 . . . . 0.0 109.265 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.4 154.67 21.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.526 0.73 . . . . 0.0 110.581 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.7 130.69 2.41 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.139 0.899 . . . . 0.0 110.4 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.485 HG23 HD11 ' A' ' 13' ' ' ILE . 98.1 t -76.21 109.11 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.056 0.542 . . . . 0.0 109.732 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -77.01 -73.3 0.3 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.462 0.705 . . . . 0.0 110.06 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.05 146.68 23.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 122.699 0.4 . . . . 0.0 110.086 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 56.8 tttm -125.05 146.03 49.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.79 0.836 . . . . 0.0 109.706 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.11 -128.59 2.57 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.971 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.13 148.38 28.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.506 0.722 . . . . 0.0 112.008 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 42.1 mt-10 -65.53 -62.51 1.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.505 0.722 . . . . 0.0 112.501 -176.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.85 -44.17 7.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.987 0.515 . . . . 0.0 111.334 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.68 4.34 44.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.736 0.814 . . . . 0.0 112.495 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.91 134.78 22.26 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 123.392 0.433 . . . . 0.0 112.941 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.72 157.38 37.63 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 167.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.639 HD11 ' HB3' ' A' ' 5' ' ' SER . 34.2 mm -136.09 115.8 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 -177.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 67.9 m-85 -121.24 112.3 18.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.838 0.855 . . . . 0.0 109.689 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -110.22 134.87 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.471 1.109 . . . . 0.0 109.147 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.539 HH11 ' HB3' ' A' ' 100' ' ' GLU . 11.3 ptp85 -106.79 135.96 47.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.1 tt0 -101.03 128.11 47.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -95.23 104.94 16.84 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.65 142.31 35.68 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -60.65 -13.23 13.33 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.181 0.992 . . . . 0.0 112.707 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.27 -14.58 63.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.687 0.795 . . . . 0.0 112.358 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.76 16.89 59.15 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -116.28 170.42 8.54 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.151 0.98 . . . . 0.0 109.524 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 50.5 mt-10 -143.02 142.27 31.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.525 0.73 . . . . 0.0 110.455 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -102.62 172.32 6.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.022 0.929 . . . . 0.0 109.169 170.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -142.96 140.44 31.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 36.0 m-85 -130.3 146.46 51.9 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.395 1.078 . . . . 0.0 108.89 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 169.59 27.38 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-O 118.937 -0.924 . . . . 0.0 111.303 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.91 126.95 18.33 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.5 2.134 . . . . 0.0 111.426 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.65 161.54 31.82 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 124.081 0.952 . . . . 0.0 111.259 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.5 104.67 0.15 Allowed 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.758 2.306 . . . . 0.0 111.282 164.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.42 120.8 13.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.6 m -76.58 86.24 3.26 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.22 0.608 . . . . 0.0 109.76 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 36.2 p90 -86.42 148.45 25.56 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.974 -176.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.01 108.89 20.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.443 1.097 . . . . 0.0 108.051 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.93 23.68 13.41 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.606 1.162 . . . . 0.0 112.018 176.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 63.74 18.07 10.88 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.238 1.015 . . . . 0.0 112.763 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.08 -46.09 30.82 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.2 m-20 -63.17 -12.81 30.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.6 mm -55.34 -33.91 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 CA-C-O 121.785 0.802 . . . . 0.0 110.308 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -126.32 -17.43 5.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.649 1.58 . . . . 0.0 110.735 -176.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -98.95 6.81 46.54 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.944 0.898 . . . . 0.0 111.561 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.23 159.1 44.68 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.254 1.022 . . . . 0.0 108.949 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -87.38 156.83 19.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.278 0.631 . . . . 0.0 109.896 175.527 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -69.9 117.03 10.96 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.312 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -84.45 154.26 22.86 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -100.58 174.41 6.09 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.864 0.466 . . . . 0.0 110.731 -171.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.57 168.49 19.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.313 1.445 . . . . 0.0 107.987 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.7 m -95.92 107.96 20.29 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 11.3 mmt180 -66.77 -61.6 1.88 Allowed 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -122.94 154.72 38.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.785 0.834 . . . . 0.0 109.411 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.94 117.44 8.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.465 0.306 . . . . 0.0 111.539 -174.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.77 31.84 79.5 Favored Glycine 0 C--N 1.349 1.276 0 O-C-N 123.719 0.637 . . . . 0.0 113.131 174.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.78 -167.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 0.0 109.577 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -106.1 170.55 7.85 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.68 -24.2 67.82 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.848 -0.614 . . . . 0.0 114.477 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.48 -46.37 89.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.697 0.799 . . . . 0.0 110.509 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.42 -39.26 78.0 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.089 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 49' ' ' LEU . 48.4 mm -58.45 -53.22 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.881 0.738 . . . . 0.0 109.892 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -28.07 67.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.436 0.694 . . . . 0.0 111.925 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.2 88.73 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.114 0.566 . . . . 0.0 111.233 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -80.99 -40.6 24.07 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.885 177.119 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.76 -28.1 63.64 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.667 0.387 . . . . 0.0 110.401 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.09 -45.81 79.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.102 1.361 . . . . 0.0 110.561 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' HD12 ' A' ' 85' ' ' LEU . 66.3 mtp180 -66.68 -48.08 70.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.254 0.622 . . . . 0.0 110.429 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.07 -36.49 74.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.288 0.635 . . . . 0.0 111.283 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -69.27 -29.95 67.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 123.402 0.439 . . . . 0.0 111.21 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -42.43 99.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.994 0.918 . . . . 0.0 109.64 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -75.58 -54.97 6.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.466 0.706 . . . . 0.0 110.03 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.58 102.81 5.04 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.876 0.87 . . . . 0.0 110.52 -171.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -77.87 -3.28 40.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.301 0.64 . . . . 0.0 111.605 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.09 9.04 4.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.176 0.59 . . . . 0.0 112.201 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.5 pt? -74.98 147.9 40.42 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.246 0.546 . . . . 0.0 110.549 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 14.6 m95 -106.21 127.2 53.05 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 91.0 t -102.02 116.21 45.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.6 t -116.28 121.51 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.539 ' HB3' HH11 ' A' ' 39' ' ' ARG . 10.2 pt-20 -91.59 109.67 20.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.5 139.82 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 32.6 tt0 -118.32 109.16 15.97 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -159.81 162.75 34.83 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.367 0.603 . . . . 0.0 110.916 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.04 -41.6 28.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 110.118 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.56 163.46 27.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.189 0.996 . . . . 0.0 110.349 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 112' ' ' LEU . 9.3 tp -117.33 -41.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -170.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.28 74.46 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 123.237 0.336 . . . . 0.0 113.837 -168.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.8 t -70.7 -27.99 64.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.624 0.769 . . . . 0.0 112.276 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -122.98 2.31 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.587 0.755 . . . . 0.0 112.819 -171.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.5 tp -170.92 126.67 0.71 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.961 0.905 . . . . 0.0 109.186 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -86.68 136.05 33.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.428 . . . . 0.0 111.358 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.516 HD11 HG12 ' A' ' 106' ' ' ILE . 27.4 mt -128.46 139.7 52.21 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.735 1.214 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.64 -24.42 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 123.649 0.779 . . . . 0.0 110.592 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.56 -58.78 2.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.509 0.723 . . . . 0.0 111.188 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.16 154.71 88.41 Favored Pre-proline 0 N--CA 1.479 1.007 0 C-N-CA 122.677 0.391 . . . . 0.0 111.009 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.9 123.78 14.67 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 123.014 2.476 . . . . 0.0 112.109 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -82.8 -52.43 6.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.997 0.919 . . . . 0.0 109.51 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.258 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.725 -178.494 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' SD ' HD23 ' A' ' 3' ' ' LEU . 45.2 ttm . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 94.21 2.29 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.164 0.986 . . . . 0.0 108.753 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.497 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -141.86 -176.24 4.7 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.052 0.941 . . . . 0.0 111.255 -176.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.01 157.97 32.14 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 36' ' ' ILE . 23.9 m -62.66 -35.69 80.45 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.2 1.0 . . . . 0.0 110.795 174.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -65.6 -46.9 77.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.594 1.157 . . . . 0.0 110.386 173.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG3' HD22 ' A' ' 3' ' ' LEU . 5.7 tpt -68.62 -22.49 64.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.378 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 12' ' ' LEU . 68.8 t80 -75.91 -47.54 24.87 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.089 0.556 . . . . 0.0 109.836 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.87 -37.41 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 123.425 0.453 . . . . 0.0 111.345 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -58.42 -44.05 88.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.953 0.783 . . . . 0.0 110.287 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -71.26 -37.16 71.94 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.458 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 8' ' ' PHE . 4.7 tt -63.31 -42.27 99.01 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.542 1.137 . . . . 0.0 110.433 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 69.2 mt -57.89 -45.3 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.842 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.88 -24.02 60.8 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 119.215 -0.421 . . . . 0.0 111.933 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.0 mtp180 -59.98 -46.83 88.16 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.648 0.379 . . . . 0.0 110.29 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 109' ' ' LEU . 3.6 m -73.59 -36.9 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.874 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -66.52 -28.35 68.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.324 0.65 . . . . 0.0 111.023 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -30.05 69.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.133 0.573 . . . . 0.0 111.086 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.51 4.68 53.06 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.643 0.777 . . . . 0.0 111.599 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.29 78.68 Favored Glycine 0 C--N 1.353 1.508 0 C-N-CA 122.937 0.304 . . . . 0.0 113.636 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.37 -179.97 47.62 Favored Glycine 0 C--N 1.344 0.99 0 C-N-CA 122.994 0.33 . . . . 0.0 113.798 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -114.78 155.12 27.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.355 1.062 . . . . 0.0 109.603 -174.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 155.23 30.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.202 0.601 . . . . 0.0 111.33 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.96 121.05 1.03 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.212 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.73 96.71 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.745 0.783 . . . . 0.0 110.027 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.62 -64.58 0.83 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.836 1.255 . . . . 0.0 111.275 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -98.01 145.16 26.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.799 0.44 . . . . 0.0 110.256 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -122.76 137.64 54.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.903 0.881 . . . . 0.0 109.338 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.29 -134.37 3.94 Favored Glycine 0 C--N 1.34 0.753 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.01 137.49 35.09 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.516 0.726 . . . . 0.0 111.093 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.43 -56.25 19.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.063 0.545 . . . . 0.0 112.167 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.02 -57.59 2.76 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.651 0.38 . . . . 0.0 111.615 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.62 4.72 39.15 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.35 153.47 47.98 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 120.113 -0.271 . . . . 0.0 112.823 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.77 165.43 16.9 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.683 HG12 HH21 ' A' ' 68' ' ' ARG . 41.8 mm -134.71 123.49 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.5 m-85 -123.15 113.05 18.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.984 0.914 . . . . 0.0 108.748 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.27 131.93 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.856 0.862 . . . . 0.0 109.084 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 2.0 ptm180 -108.6 115.87 30.91 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 109.648 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.592 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.5 tt0 -80.66 149.75 29.68 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -129.82 120.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.37 1.068 . . . . 0.0 108.167 173.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.3 mm? -83.71 137.89 33.55 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -60.42 -14.69 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.111 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.93 -42.18 77.1 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.006 1.322 . . . . 0.0 110.834 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.55 -15.03 2.03 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.003 -0.544 . . . . 0.0 113.413 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' HD23 ' A' ' 42' ' ' LEU . 10.2 mmt180 -88.96 163.53 15.52 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 117.478 0.639 . . . . 0.0 111.009 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -126.83 170.51 12.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.507 1.123 . . . . 0.0 109.819 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.6 m120 -143.95 162.66 35.58 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.461 1.504 . . . . 0.0 107.955 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -134.39 142.05 47.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.42 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 53.7 m-85 -132.95 148.92 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.531 1.132 . . . . 0.0 108.367 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 177.62 24.27 Favored Glycine 0 N--CA 1.466 0.654 0 CA-C-O 119.129 -0.817 . . . . 0.0 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HD2' ' A' ' 68' ' ' ARG . 23.0 Cg_exo -65.81 117.59 4.77 Favored 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.321 2.014 . . . . 0.0 110.84 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 155.79 73.13 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 123.513 0.725 . . . . 0.0 110.988 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.38 85.39 0.45 Allowed 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.234 1.956 . . . . 0.0 110.325 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.98 139.75 57.21 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.922 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 m -77.57 73.03 4.15 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.456 0.646 . . . . 0.0 109.41 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 23.3 p90 -90.82 147.0 23.48 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.186 -175.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.66 104.04 14.85 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.0 19.16 11.19 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.83 1.252 . . . . 0.0 111.779 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 69.12 9.13 7.22 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 125.223 1.409 . . . . 0.0 112.961 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 33.4 mm-40 -67.68 -46.16 73.12 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.45 0.643 . . . . 0.0 109.641 172.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 37.5 t70 -63.93 -18.16 63.95 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.781 -173.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 57' ' ' PHE . 45.3 mm -56.37 -40.85 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.972 0.891 . . . . 0.0 110.15 173.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.9 mtm -99.1 2.22 45.85 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.755 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.8 mmt180 -111.58 -23.94 10.4 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.337 0.655 . . . . 0.0 110.861 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.87 143.34 46.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.898 0.879 . . . . 0.0 109.494 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 126.76 28.49 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.683 HH21 HG12 ' A' ' 36' ' ' ILE . 13.0 ptt180 -73.35 122.27 21.77 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HD3' HG22 ' A' ' 111' ' ' THR . 30.0 ttm-85 -77.26 164.96 25.1 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -102.21 164.8 11.49 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.733 0.413 . . . . 0.0 111.39 -176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -127.57 155.16 44.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.827 1.251 . . . . 0.0 108.351 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.5 m -87.79 102.85 15.07 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.0 mmm180 -72.04 -56.31 5.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.575 0.75 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . 92.6 mt -121.8 158.56 28.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.668 0.787 . . . . 0.0 109.748 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.479 ' HA ' ' ND2' ' A' ' 48' ' ' ASN . . . -154.54 138.27 16.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.025 0.53 . . . . 0.0 110.874 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.14 31.75 62.36 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 123.893 0.746 . . . . 0.0 113.511 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.0 -165.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.609 1.164 . . . . 0.0 110.099 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.47 170.89 8.55 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.318 0.647 . . . . 0.0 110.386 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -22.04 66.9 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.603 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.51 -41.87 83.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.035 0.534 . . . . 0.0 110.158 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.75 -37.21 84.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.423 0.689 . . . . 0.0 111.274 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' LEU . 47.1 mm -62.86 -56.6 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.811 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.73 68.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.726 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -60.39 -44.66 95.44 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.824 0.703 . . . . 0.0 110.619 175.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tp -78.43 -44.94 23.48 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.323 0.39 . . . . 0.0 111.505 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.57 -35.23 65.53 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.58 0.55 . . . . 0.0 111.65 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -29.1 63.86 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.811 0.695 . . . . 0.0 110.473 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 68.0 mtt180 -73.09 -52.07 15.66 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.18 -38.28 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.636 -172.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -66.05 -29.3 69.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.55 0.531 . . . . 0.0 111.876 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -61.86 -48.74 79.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.518 0.727 . . . . 0.0 109.856 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.11 -52.9 9.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 0.0 110.635 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -134.5 97.15 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.253 1.021 . . . . 0.0 108.984 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 t -76.46 -5.52 47.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.577 0.751 . . . . 0.0 111.958 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.69 -2.7 18.27 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -72.7 154.14 40.84 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 121.565 0.698 . . . . 0.0 110.186 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -107.85 151.65 25.47 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.9 t -124.01 122.96 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -120.25 122.84 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.6 pt-20 -85.31 129.8 34.73 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' A' ' 40' ' ' GLN . 46.1 pt -126.59 135.95 62.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -117.23 110.26 17.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.1 t -164.81 157.24 16.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.45 0.7 . . . . 0.0 110.953 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -69.45 -51.16 38.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.061 0.944 . . . . 0.0 111.243 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -105.67 172.56 6.73 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.948 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.4 tp -132.73 -40.45 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.8 95.02 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 123.448 0.467 . . . . 0.0 114.028 -167.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.5 t -69.3 -31.85 70.61 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.577 0.751 . . . . 0.0 111.76 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -112.74 3.03 16.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.642 0.777 . . . . 0.0 112.349 -170.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.5 tp -174.36 116.04 0.2 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.853 1.261 . . . . 0.0 108.247 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.432 HG22 ' HD3' ' A' ' 69' ' ' ARG . 19.6 m -83.03 138.17 33.84 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.076 0.55 . . . . 0.0 111.182 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 mt -127.26 152.22 47.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.853 0.861 . . . . 0.0 110.836 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.23 -23.17 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.395 1.078 . . . . 0.0 109.392 170.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -83.08 -62.82 1.49 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.118 -174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -78.84 124.0 85.08 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.345 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.23 148.6 49.97 Favored 'Trans proline' 0 C--N 1.37 1.71 0 C-N-CA 122.427 2.085 . . . . 0.0 111.437 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -78.4 -29.32 47.18 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.549 0.739 . . . . 0.0 109.483 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.068 0.947 . . . . 0.0 108.863 173.819 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 42.1 mtm180 62.28 73.97 0.45 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.058 0.932 . . . . 0.0 109.837 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -123.17 171.46 9.31 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.758 -170.545 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 17.9 ptpt -78.41 172.7 13.24 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.297 0.373 . . . . 0.0 110.235 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.635 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.3 m -58.98 -47.68 84.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.541 1.136 . . . . 0.0 111.726 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.84 -39.9 95.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.578 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.516 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 6.4 tpt -69.59 -23.97 63.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -76.66 -49.15 16.86 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -62.52 -39.67 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 123.406 0.441 . . . . 0.0 111.535 -174.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -60.19 -47.31 86.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.63 0.772 . . . . 0.0 110.227 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.01 73.03 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.905 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.31 -41.53 96.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.929 1.292 . . . . 0.0 111.055 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.596 HD11 HG23 ' A' ' 25' ' ' VAL . 83.2 mt -65.03 -36.39 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.312 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -74.49 -25.57 59.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.21 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -66.01 -48.2 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.294 0.371 . . . . 0.0 110.118 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG12 HD13 ' A' ' 109' ' ' LEU . 7.2 m -67.95 -42.29 85.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.306 -174.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.17 -28.66 63.37 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.364 0.665 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.375 . . . . 0.0 110.219 171.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.48 67.42 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.851 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.15 -19.56 4.33 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 123.22 0.438 . . . . 0.0 113.068 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.07 -179.97 44.28 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.25 0.46 . . . . 0.0 114.25 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 75.5 t80 -110.91 156.77 20.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.29 1.436 . . . . 0.0 109.676 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.69 161.3 37.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.176 0.991 . . . . 0.0 110.479 171.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.63 126.41 1.06 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.997 0.811 . . . . 0.0 110.642 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 13' ' ' ILE . 93.4 t -73.53 107.53 4.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -85.12 -56.14 3.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.823 0.849 . . . . 0.0 110.448 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 64.3 tttp -101.8 140.54 35.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.73 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -130.75 125.67 34.43 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.328 1.051 . . . . 0.0 109.134 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -133.09 4.19 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.81 121.75 18.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.336 0.655 . . . . 0.0 110.663 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -66.26 -44.06 84.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.68 0.792 . . . . 0.0 111.351 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -78.4 -57.21 3.9 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.639 0.776 . . . . 0.0 112.073 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.59 26.49 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.682 0.793 . . . . 0.0 113.098 -167.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.64 154.35 34.2 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 113.65 0.22 . . . . 0.0 113.65 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.65 31.88 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.635 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.6 mm -128.24 111.1 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.7 m-85 -110.54 113.7 26.53 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.785 0.834 . . . . 0.0 109.283 175.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -109.57 129.08 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.573 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -113.6 119.28 36.93 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.347 0.594 . . . . 0.0 110.275 -177.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.9 tp60 -82.24 146.95 29.21 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.689 1.596 . . . . 0.0 111.018 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -130.82 123.22 28.62 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.626 0.771 . . . . 0.0 109.338 172.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.9 mm? -93.42 167.95 11.38 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.046 0.938 . . . . 0.0 111.359 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.9 -27.84 68.5 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.069 170.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.42 -23.64 64.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.104 1.362 . . . . 0.0 111.919 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.9 20.42 55.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.15 177.81 4.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.047 0.939 . . . . 0.0 108.814 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.55 163.89 31.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.561 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.3 m-80 -134.36 164.57 27.12 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 168.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -133.8 143.4 48.36 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -129.27 159.57 35.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.183 0.993 . . . . 0.0 108.929 -176.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.59 172.6 31.71 Favored Glycine 0 N--CA 1.459 0.194 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.497 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 6.5 Cg_exo -73.17 118.05 5.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.303 2.002 . . . . 0.0 110.337 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 143.94 98.0 Favored Pre-proline 0 C--O 1.247 0.925 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.71 104.04 0.36 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.55 2.167 . . . . 0.0 110.523 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -54.27 122.0 9.41 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 111.005 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -76.28 88.41 3.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -119.76 160.11 23.23 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 0.0 110.565 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.79 137.77 33.6 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.368 1.067 . . . . 0.0 108.979 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 63.81 15.9 9.4 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.861 1.265 . . . . 0.0 111.177 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 58.65 18.97 6.3 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.177 1.391 . . . . 0.0 112.993 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -82.24 -46.27 13.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.53 0.732 . . . . 0.0 110.841 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.79 -6.32 20.66 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.325 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.36 -50.64 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.867 . . . . 0.0 109.551 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.3 mtm -90.4 -28.38 18.69 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.787 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -92.87 -5.8 50.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.183 0.593 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.93 141.17 17.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 109.56 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -82.79 159.93 22.37 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.024 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -81.76 134.87 35.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.09 0.472 . . . . 0.0 110.838 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.79 161.4 23.27 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.724 -1.214 . . . . 0.0 107.724 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.07 175.07 5.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 -176.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.52 168.62 19.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.192 1.397 . . . . 0.0 109.059 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.4 m -101.5 111.95 24.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.05 -46.46 51.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.357 0.663 . . . . 0.0 110.73 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.7 mt -139.6 158.25 44.44 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.052 0.941 . . . . 0.0 109.153 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.14 136.03 14.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.21 26.09 68.95 Favored Glycine 0 C--N 1.357 1.725 0 O-C-N 123.881 0.738 . . . . 0.0 113.371 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.5 m -102.94 -167.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.802 1.241 . . . . 0.0 110.228 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.4 pt-20 -121.08 172.41 7.97 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.131 0.572 . . . . 0.0 110.805 177.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.95 65.94 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 124.122 0.889 . . . . 0.0 114.403 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.53 -44.59 82.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.074 0.55 . . . . 0.0 110.057 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.83 -38.1 85.78 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.599 0.76 . . . . 0.0 110.742 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.441 HG21 ' HE ' ' A' ' 39' ' ' ARG . 49.1 mm -61.18 -56.47 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.357 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.54 65.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.783 0.833 . . . . 0.0 111.342 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -65.22 -39.18 92.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.092 0.557 . . . . 0.0 111.203 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -41.03 21.52 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.83 0.286 . . . . 0.0 111.038 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.62 -31.86 62.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.157 0.583 . . . . 0.0 111.082 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -75.17 -32.03 61.15 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.508 0.505 . . . . 0.0 110.17 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 33.6 mtp-105 -70.28 -50.39 39.99 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 121.496 0.665 . . . . 0.0 109.398 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -66.47 -42.79 86.99 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.497 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -66.43 -28.79 68.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 123.604 0.565 . . . . 0.0 111.393 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -62.4 -46.46 88.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.585 0.754 . . . . 0.0 110.08 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -89.96 -14.31 34.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.999 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -161.71 91.26 0.81 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.437 0.695 . . . . 0.0 109.837 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -77.09 -3.14 37.75 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 122.984 0.514 . . . . 0.0 110.723 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.44 3.26 16.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.762 0.825 . . . . 0.0 112.237 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.65 160.29 25.08 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.013 0.435 . . . . 0.0 110.906 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -118.25 127.34 53.63 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.98 1.312 . . . . 0.0 108.779 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 99.2 t -99.63 116.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 25' ' ' VAL . 29.7 t -110.32 112.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 10.1 pt-20 -88.06 108.34 19.19 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.524 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -103.5 150.75 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.376 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 39.0 tt0 -138.83 105.91 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 HE22 ' A' ' 40' ' ' GLN . 4.8 t -159.84 159.97 33.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.779 -175.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -74.12 -45.33 49.63 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.338 0.655 . . . . 0.0 110.22 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -119.64 142.67 48.23 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.187 0.595 . . . . 0.0 110.129 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 tp -94.92 -35.98 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.446 0.698 . . . . 0.0 110.544 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.79 77.66 1.75 Allowed Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.83 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t 176.43 -30.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.361 1.464 . . . . 0.0 108.974 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.559 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -125.44 -3.9 7.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.661 0.784 . . . . 0.0 112.531 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.54 138.52 13.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -107.29 125.08 50.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.537 0.735 . . . . 0.0 110.652 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.95 155.33 39.77 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.305 1.042 . . . . 0.0 110.512 -174.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.3 m -87.16 -28.05 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.853 0.861 . . . . 0.0 110.085 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.27 -46.44 41.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.863 0.865 . . . . 0.0 110.21 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.57 164.59 19.41 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 123.681 0.792 . . . . 0.0 110.133 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.29 174.86 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.32 2.68 . . . . 0.0 114.188 169.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -72.58 -57.1 4.4 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.561 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.321 -175.804 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 120.914 0.387 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 61.8 ttt-85 -80.31 102.36 9.49 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.244 0.545 . . . . 0.0 110.039 173.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 174.42 10.53 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.575 1.15 . . . . 0.0 109.636 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.7 ptpp? -72.96 169.32 17.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.383 0.273 . . . . 0.0 110.597 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.3 m -59.39 -45.06 92.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.146 0.979 . . . . 0.0 111.852 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.8 tm-20 -63.5 -39.53 94.69 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.508 1.123 . . . . 0.0 111.174 178.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.553 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.5 tpt -77.23 -23.77 51.29 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -76.3 -43.41 41.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.15 -41.67 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 123.507 0.504 . . . . 0.0 110.34 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.7 t -62.36 -48.72 78.55 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.822 0.701 . . . . 0.0 109.664 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.22 -38.16 82.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.198 0.599 . . . . 0.0 111.226 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 3.7 tt -64.08 -38.68 91.94 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.108 0.963 . . . . 0.0 110.143 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -63.74 -42.48 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.533 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 10' ' ' SER . 9.3 mpt_? -72.59 -24.37 61.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 122.111 -0.368 . . . . 0.0 110.606 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.4 mtt180 -65.07 -49.54 69.67 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.067 0.547 . . . . 0.0 110.549 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 5.5 m -68.74 -40.53 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.244 -174.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -69.56 -28.78 66.28 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.047 0.539 . . . . 0.0 110.679 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.65 66.85 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.774 0.43 . . . . 0.0 111.199 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -10.48 32.84 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.462 0.705 . . . . 0.0 111.765 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.7 4.8 56.9 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.95 -174.37 45.36 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-N 117.157 0.478 . . . . 0.0 113.4 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -112.93 159.22 19.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.426 1.09 . . . . 0.0 109.865 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -159.94 154.3 23.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.581 0.752 . . . . 0.0 111.421 174.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.46 124.05 1.14 Allowed 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.226 0.954 . . . . 0.0 110.046 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 13' ' ' ILE . 57.9 t -69.54 103.93 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.228 0.611 . . . . 0.0 110.259 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.63 -66.87 0.49 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.062 0.945 . . . . 0.0 110.493 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -108.65 144.82 35.89 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.634 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 87.2 tttt -117.51 129.89 56.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.708 1.203 . . . . 0.0 109.215 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.06 -140.35 6.08 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.61 126.48 31.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.608 0.763 . . . . 0.0 110.845 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.49 -46.22 90.91 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.14 -61.77 1.67 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.808 0.443 . . . . 0.0 111.962 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.59 0.83 56.75 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -166.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.33 152.95 51.16 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 114.545 0.578 . . . . 0.0 114.545 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.76 165.16 22.18 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.3 mm -133.46 113.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 30.9 m-85 -111.94 112.92 24.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.433 0.693 . . . . 0.0 109.161 172.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.94 141.71 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 14.7 ptp180 -106.67 134.22 50.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 56.4 tt0 -84.07 145.65 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 164.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -124.17 132.85 53.66 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.139 0.495 . . . . 0.0 109.801 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.18 143.99 27.45 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 167.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.79 HH22 ' HB3' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -63.3 -15.24 56.67 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.416 0.686 . . . . 0.0 111.508 173.824 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.08 -13.94 62.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.141 1.377 . . . . 0.0 112.031 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -5.88 66.26 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -150.5 153.37 35.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 0.0 110.218 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 2.4 m120 -118.72 170.81 8.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -139.72 142.98 36.82 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' H ' HD23 ' A' ' 49' ' ' LEU . 40.1 m-85 -132.2 156.45 46.43 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.499 1.12 . . . . 0.0 109.318 -176.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.5 166.8 30.78 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.28 128.52 13.86 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 122.234 1.956 . . . . 0.0 111.601 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.78 164.06 15.8 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.215 1.006 . . . . 0.0 110.599 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.45 126.85 17.71 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.331 2.021 . . . . 0.0 110.944 165.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.02 166.23 23.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.305 0.642 . . . . 0.0 110.699 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.3 p -84.41 74.36 10.37 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.387 0.675 . . . . 0.0 110.027 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 54.4 p90 -88.67 136.95 32.74 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.429 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.58 108.61 20.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.842 0.857 . . . . 0.0 108.9 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 58.71 37.1 25.19 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.966 1.306 . . . . 0.0 111.706 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 62.86 22.02 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.969 1.308 . . . . 0.0 113.638 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.52 -58.73 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 172.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.8 m-20 -65.53 -8.14 18.14 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -170.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.7 mm -53.2 -38.94 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-O 121.915 0.864 . . . . 0.0 110.066 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -121.75 -3.32 9.24 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.272 -173.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.53 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 12.8 mmm180 -107.19 -16.87 14.3 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.451 0.7 . . . . 0.0 111.558 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . . . -147.16 165.71 29.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.339 0.656 . . . . 0.0 110.713 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -86.67 161.82 18.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.697 0.799 . . . . 0.0 111.191 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -68.17 127.48 33.06 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.739 170.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -86.1 154.54 21.3 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.4 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -101.09 175.14 5.69 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.996 0.519 . . . . 0.0 111.418 -173.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -140.48 157.45 45.49 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.23 1.412 . . . . 0.0 109.284 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -92.38 111.38 22.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.053 0.541 . . . . 0.0 109.547 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -74.26 -58.63 3.17 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.84 0.856 . . . . 0.0 111.13 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 49' ' ' LEU . 83.6 mt -119.62 161.06 21.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.503 0.721 . . . . 0.0 109.298 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.75 126.36 8.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.414 0.286 . . . . 0.0 111.549 -176.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 35.41 91.99 Favored Glycine 0 C--N 1.353 1.498 0 O-C-N 123.871 0.732 . . . . 0.0 113.622 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -106.34 -165.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.325 1.45 . . . . 0.0 109.602 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.64 173.7 6.58 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.173 0.442 . . . . 0.0 110.935 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.95 -19.03 65.21 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 115.962 -0.563 . . . . 0.0 114.085 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.25 -47.28 80.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.75 -40.82 88.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.851 0.86 . . . . 0.0 110.76 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.516 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.6 mm -61.23 -56.68 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.06 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.95 68.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.946 0.498 . . . . 0.0 111.638 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.11 71.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.178 0.591 . . . . 0.0 111.167 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.435 HD22 HD13 ' A' ' 49' ' ' LEU . 1.7 tp -82.0 -47.93 12.07 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 122.173 0.189 . . . . 0.0 111.467 172.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.25 -27.21 67.05 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.72 -35.44 80.13 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 60.7 mtp85 -74.75 -49.97 19.06 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.706 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -61.81 -37.52 84.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.366 0.666 . . . . 0.0 111.648 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -70.98 -29.3 65.24 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.279 0.362 . . . . 0.0 111.302 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 30.2 ttm180 -63.72 -47.93 79.13 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.286 0.634 . . . . 0.0 110.271 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.67 -54.78 16.77 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -148.18 105.66 3.66 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.905 0.882 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.5 t -76.91 -1.81 30.39 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.42 3.76 4.47 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -76.56 155.46 33.62 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.537 0.684 . . . . 0.0 111.627 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.413 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 21.6 m95 -111.97 131.61 55.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 114.313 -1.312 . . . . 0.0 107.997 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 21.9 t -112.17 126.53 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.39 122.22 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 123.157 0.583 . . . . 0.0 109.68 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 13.9 pt-20 -86.81 106.6 17.82 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 25.7 pt -107.47 147.76 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -120.27 125.68 48.71 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.563 HG21 HD11 ' A' ' 109' ' ' LEU . 8.8 t -172.76 166.25 5.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.668 1.187 . . . . 0.0 108.609 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.79 ' HB3' HH22 ' A' ' 43' ' ' ARG . 11.6 p-10 -102.07 -36.48 8.56 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 165.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -95.3 98.35 10.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.994 0.917 . . . . 0.0 109.964 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 tp -81.15 -31.49 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.028 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.81 -18.76 66.7 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 114.535 0.574 . . . . 0.0 114.535 -170.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -86.52 -24.76 25.41 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.563 HD11 HG21 ' A' ' 103' ' ' THR . 1.9 pp -126.5 4.99 6.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -167.4 132.96 2.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.226 1.011 . . . . 0.0 109.149 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 15.4 m -95.21 129.85 42.17 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.643 0.777 . . . . 0.0 110.925 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.43 139.77 48.16 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.736 0.814 . . . . 0.0 111.486 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.1 m -79.61 -28.94 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.084 0.953 . . . . 0.0 110.289 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.2 -53.92 21.47 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.048 0.939 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -69.14 145.69 96.44 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -59.01 150.27 74.06 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 123.257 2.638 . . . . 0.0 113.763 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.71 -42.64 93.51 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.408 176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 124.441 1.097 . . . . 0.0 108.309 175.047 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.1 mmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -68.53 95.76 0.65 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.243 1.017 . . . . 0.0 110.677 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -146.53 -178.37 6.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.804 1.241 . . . . 0.0 109.551 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.04 155.61 39.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.592 0.357 . . . . 0.0 110.331 173.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -60.14 -36.24 77.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.337 1.055 . . . . 0.0 110.545 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.29 -51.8 67.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.452 1.101 . . . . 0.0 110.98 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.0 tpt -68.61 -23.74 64.49 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.264 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -69.86 -46.3 65.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.26 -43.67 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 50.3 m -54.62 -54.15 45.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.396 1.06 . . . . 0.0 109.957 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.67 -37.78 88.65 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.555 0.742 . . . . 0.0 112.019 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 110' ' ' LEU . 26.0 tp -58.6 -43.56 89.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.562 1.545 . . . . 0.0 111.139 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 23' ' ' ALA . 79.7 mt -64.67 -38.36 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.465 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.6 mpt_? -73.75 -26.16 60.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 122.112 -0.368 . . . . 0.0 110.665 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.5 mtp180 -66.11 -44.44 84.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.051 0.54 . . . . 0.0 110.706 175.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -70.46 -42.41 78.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.08 -29.23 68.94 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.858 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -29.01 65.87 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.083 0.553 . . . . 0.0 111.224 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.66 4.57 52.39 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.69 0.796 . . . . 0.0 112.086 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.15 39.34 32.31 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-O 120.955 0.197 . . . . 0.0 113.117 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.2 175.25 18.96 Favored Glycine 0 N--CA 1.466 0.684 0 C-N-CA 123.989 0.804 . . . . 0.0 111.539 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 91.0 t80 -111.15 155.09 23.4 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.144 0.578 . . . . 0.0 110.161 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -156.9 157.75 35.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.694 0.798 . . . . 0.0 110.918 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.23 135.81 2.64 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.333 1.021 . . . . 0.0 109.125 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 t -81.36 106.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 39' ' ' ARG . 43.2 mt-10 -74.6 -54.11 8.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.796 0.438 . . . . 0.0 110.36 176.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -119.38 146.95 44.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 0.0 110.214 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.56 149.1 38.74 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.25 1.02 . . . . 0.0 109.697 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.45 -138.07 4.06 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.152 168.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.88 144.79 34.6 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.156 0.582 . . . . 0.0 111.221 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.47 -60.4 2.46 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 123.623 0.769 . . . . 0.0 112.199 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.12 -41.12 10.12 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.972 0.509 . . . . 0.0 111.504 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.2 13.54 34.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.692 0.797 . . . . 0.0 112.037 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.16 148.48 22.31 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -79.19 164.94 23.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -141.6 115.03 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 61.6 m-85 -114.77 112.67 23.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.56 0.744 . . . . 0.0 109.749 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.4 129.17 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.215 1.006 . . . . 0.0 109.068 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HD3' ' OE1' ' A' ' 26' ' ' GLU . 8.3 ptm180 -112.82 121.74 45.61 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.876 0.87 . . . . 0.0 109.564 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.4 tt0 -102.8 121.42 42.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.6 0.76 . . . . 0.0 111.046 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 52.0 ttt180 -81.67 114.02 20.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -72.23 166.42 22.45 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 0.0 111.182 173.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -54.84 -30.16 56.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.919 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.07 -38.11 12.39 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.432 0.293 . . . . 0.0 111.074 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.34 1.23 Allowed Glycine 0 C--N 1.342 0.908 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' NH1' ' HB3' ' A' ' 78' ' ' GLU . 29.5 mmt180 -68.28 168.47 12.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.552 0.341 . . . . 0.0 111.383 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.4 mt-10 -138.75 152.38 47.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.74 0.781 . . . . 0.0 111.237 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -106.16 166.82 10.24 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.426 1.09 . . . . 0.0 108.771 168.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -136.36 140.79 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 174.236 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 47.3 m-85 -129.17 146.98 50.98 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.571 1.148 . . . . 0.0 108.125 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.55 168.49 27.31 Favored Glycine 0 N--CA 1.468 0.788 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.774 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.23 124.37 12.86 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 122.605 2.204 . . . . 0.0 111.166 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.3 152.43 55.32 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 123.309 0.643 . . . . 0.0 110.615 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.61 97.54 0.38 Allowed 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.266 1.977 . . . . 0.0 110.692 170.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -64.68 109.72 2.12 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.299 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 t -62.88 95.71 0.08 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.414 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -84.78 132.9 34.37 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.767 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.29 102.57 14.35 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.53 32.77 3.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.651 1.181 . . . . 0.0 110.546 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 64.19 15.15 9.16 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.453 1.101 . . . . 0.0 112.317 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -42.89 36.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.331 -0.231 . . . . 0.0 110.955 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -12.11 17.36 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.725 0.81 . . . . 0.0 112.997 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.4 mm -61.74 -41.02 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.495 0.718 . . . . 0.0 110.059 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.9 ptp -119.47 -7.76 10.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.404 1.081 . . . . 0.0 111.467 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -119.9 11.05 11.71 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.593 0.757 . . . . 0.0 111.135 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.75 151.14 31.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.897 0.879 . . . . 0.0 109.021 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.11 177.12 9.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -81.03 106.86 13.36 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.127 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -91.6 148.13 22.5 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 172.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.0 m-85 -99.85 176.19 5.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.395 0.678 . . . . 0.0 110.902 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -139.36 168.85 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.799 1.64 . . . . 0.0 107.839 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -96.56 107.3 19.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 41.8 mmt-85 -68.14 -59.81 2.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.332 0.653 . . . . 0.0 109.676 175.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.06 159.17 29.03 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.723 0.809 . . . . 0.0 110.438 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.22 118.87 7.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.911 0.484 . . . . 0.0 110.714 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 71.18 29.63 68.42 Favored Glycine 0 C--N 1.349 1.287 0 O-C-N 123.63 0.581 . . . . 0.0 114.056 172.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.55 150.13 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.448 1.099 . . . . 0.0 109.813 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 11.9 pt-20 -72.7 169.95 15.56 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.882 0.373 . . . . 0.0 111.823 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.17 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 114.933 -1.03 . . . . 0.0 115.135 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.9 -51.03 64.16 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.12 -36.9 84.38 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.844 0.858 . . . . 0.0 111.355 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.9 mm -58.96 -55.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.944 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.44 68.22 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.647 0.779 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.84 75.22 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.381 0.672 . . . . 0.0 111.167 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -82.34 -41.11 20.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.723 0.238 . . . . 0.0 111.166 173.124 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -55.91 -32.1 63.46 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.191 0.596 . . . . 0.0 110.881 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -34.15 72.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.862 0.726 . . . . 0.0 110.425 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -73.59 -48.0 36.08 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.375 0.607 . . . . 0.0 110.094 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.11 -34.35 68.54 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.23 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.1 ptt180 -71.24 -30.07 65.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 123.479 0.487 . . . . 0.0 111.574 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.73 -49.37 78.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.768 0.827 . . . . 0.0 109.739 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.96 -54.26 10.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.403 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -135.2 102.46 5.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.108 0.563 . . . . 0.0 109.967 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -71.26 -1.87 14.17 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.889 0.876 . . . . 0.0 110.648 171.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -70.46 0.85 5.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.974 0.91 . . . . 0.0 112.258 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.0 pt? -76.89 146.77 37.44 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.34 0.59 . . . . 0.0 110.977 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.45 125.74 51.33 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -99.18 115.17 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.84 117.08 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -85.68 107.94 17.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -103.58 160.27 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.2 tm-20 -143.81 107.82 4.72 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -172.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 t -170.23 163.98 8.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.672 0.789 . . . . 0.0 110.461 -171.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.07 -48.07 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.991 0.917 . . . . 0.0 110.251 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.81 150.97 26.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.363 0.665 . . . . 0.0 110.333 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG12 HD11 ' A' ' 112' ' ' LEU . 10.3 tp -111.3 -35.7 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.117 0.567 . . . . 0.0 111.009 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.78 66.17 3.38 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 123.493 0.496 . . . . 0.0 113.106 -172.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.9 t -175.04 -35.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.084 1.353 . . . . 0.0 108.767 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -115.41 -4.42 12.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.653 0.781 . . . . 0.0 111.869 -174.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 12' ' ' LEU . 60.0 tp -156.63 150.36 24.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.503 1.121 . . . . 0.0 108.171 171.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.5 m -108.99 131.34 55.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.178 0.591 . . . . 0.0 110.708 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 HG12 ' A' ' 106' ' ' ILE . 16.6 mt -126.87 161.98 26.99 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.521 1.128 . . . . 0.0 109.827 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.3 0.28 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 110.405 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -103.98 -55.22 2.41 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.599 0.76 . . . . 0.0 110.403 -169.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -67.32 145.53 98.57 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-O 118.881 -0.581 . . . . 0.0 110.11 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -55.7 102.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.385 2.724 . . . . 0.0 113.04 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -75.46 126.01 30.16 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.234 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.168 0 O-C-N 124.686 1.241 . . . . 0.0 111.542 175.325 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 67' ' ' GLU . 90.5 mtt180 -83.86 94.75 8.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.955 0.902 . . . . 0.0 109.484 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -141.1 -169.14 2.77 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.654 0.782 . . . . 0.0 111.294 -170.657 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.9 ptpt -95.7 175.53 6.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 175.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.617 ' HB3' HD11 ' A' ' 36' ' ' ILE . 9.4 m -60.77 -48.09 83.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.599 1.16 . . . . 0.0 112.637 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.39 -37.77 87.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.641 0.777 . . . . 0.0 111.034 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.6 tpt -73.52 -23.95 60.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.139 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' A' ' 3' ' ' LEU . 61.2 t80 -75.58 -51.97 11.65 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.45 -39.15 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 123.879 0.737 . . . . 0.0 111.572 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 51.3 p -66.31 -50.19 64.47 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.32 0.648 . . . . 0.0 110.63 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.09 -30.67 71.78 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.014 0.525 . . . . 0.0 111.677 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.28 -41.34 96.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.179 1.392 . . . . 0.0 111.023 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.1 mt -67.18 -35.21 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.081 176.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.0 mpt_? -72.5 -26.41 61.77 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.551 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 61.7 mtp180 -67.57 -45.07 76.64 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.834 0.453 . . . . 0.0 110.415 175.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 HD13 ' A' ' 109' ' ' LEU . 6.8 m -71.32 -43.79 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 -175.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -66.67 -28.18 68.26 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.342 0.657 . . . . 0.0 110.826 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -30.97 71.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.055 0.542 . . . . 0.0 111.11 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.48 57.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.649 0.78 . . . . 0.0 112.085 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.75 46.78 7.05 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.15 179.16 17.06 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.662 0.648 . . . . 0.0 112.056 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.6 t80 -115.39 154.74 28.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.706 0.802 . . . . 0.0 109.517 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 13' ' ' ILE . . . -163.13 165.73 24.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.051 0.54 . . . . 0.0 111.985 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.02 138.34 0.25 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.851 1.26 . . . . 0.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 99' ' ' VAL . 95.2 t -80.72 115.13 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 122.809 0.443 . . . . 0.0 110.269 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.33 -59.17 2.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.949 0.899 . . . . 0.0 110.412 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -107.95 142.37 38.16 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.56 0.744 . . . . 0.0 110.288 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -119.24 142.15 48.29 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.121 0.968 . . . . 0.0 109.768 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.15 -138.8 4.31 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.382 172.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.71 124.12 25.39 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.622 0.769 . . . . 0.0 110.433 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.01 -37.08 83.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 -171.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.05 -60.35 2.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.136 0.574 . . . . 0.0 112.301 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.7 18.23 19.86 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -166.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.06 151.74 42.76 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 113.784 0.273 . . . . 0.0 113.784 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.51 152.96 35.89 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 5' ' ' SER . 33.9 mm -127.03 122.94 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.807 -0.558 . . . . 0.0 109.754 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.4 m-85 -122.11 135.54 54.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.898 1.279 . . . . 0.0 108.577 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.59 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.05 0.54 . . . . 0.0 109.748 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 9.1 ptp180 -109.86 110.77 21.84 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.488 0.715 . . . . 0.0 109.073 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 tp60 -80.62 109.58 15.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.252 1.021 . . . . 0.0 109.559 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.06 111.76 23.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.627 0.771 . . . . 0.0 110.004 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.14 145.24 31.15 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.993 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -48.36 -28.88 3.45 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.467 172.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.93 -9.04 57.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.785 0.834 . . . . 0.0 112.392 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.02 60.89 Favored Glycine 0 C--N 1.343 0.92 0 O-C-N 123.14 0.275 . . . . 0.0 112.564 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -92.25 153.64 19.13 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 32.1 mt-10 -141.02 141.0 34.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.793 0.837 . . . . 0.0 109.62 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 2.2 m120 -113.28 131.4 55.94 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 86' ' ' LEU . 16.8 tp -100.06 143.73 29.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -127.23 156.59 41.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.173 0.989 . . . . 0.0 109.576 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.34 165.05 26.14 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -81.78 105.02 1.49 Allowed 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 122.296 1.997 . . . . 0.0 109.927 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' A' ' 70' ' ' PHE . . . -60.5 148.08 81.54 Favored Pre-proline 0 C--O 1.249 1.051 0 C-N-CA 122.813 0.445 . . . . 0.0 111.406 -173.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -59.73 117.72 4.5 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.326 2.017 . . . . 0.0 109.807 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.07 152.63 7.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.463 1.105 . . . . 0.0 112.099 -173.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 m -79.63 56.78 2.3 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.574 0.702 . . . . 0.0 109.561 173.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.61 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 49.1 p90 -86.95 137.75 32.1 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.429 -170.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.65 119.43 38.88 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.023 0.929 . . . . 0.0 108.907 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 65.32 17.88 11.15 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.522 1.129 . . . . 0.0 111.652 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.45 22.77 13.14 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.382 1.073 . . . . 0.0 111.868 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.0 -49.66 10.01 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.611 0.72 . . . . 0.0 109.282 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.61 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 32.6 t70 -67.08 -7.95 26.82 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.495 1.518 . . . . 0.0 113.979 -169.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -43.95 -49.74 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 125.497 1.519 . . . . 0.0 112.282 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.63 24.66 8.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.51 -173.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 56.0 mmm-85 -113.71 -31.75 6.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.098 0.959 . . . . 0.0 109.267 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.83 157.91 40.19 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.036 0.934 . . . . 0.0 110.062 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 2' ' ' ARG . 48.3 tt0 -65.16 127.65 32.54 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.672 0.789 . . . . 0.0 110.494 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -77.22 125.37 29.22 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -81.34 166.12 20.75 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.6 m-85 -102.36 173.94 6.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.056 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -141.48 166.64 24.2 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.206 1.403 . . . . 0.0 108.644 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -103.27 109.85 21.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.918 0.487 . . . . 0.0 109.762 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -71.36 -53.17 15.03 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.467 0.707 . . . . 0.0 110.05 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.36 160.16 37.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.323 1.049 . . . . 0.0 109.035 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.27 116.66 6.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.627 0.371 . . . . 0.0 111.36 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.99 31.74 78.87 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 123.786 0.679 . . . . 0.0 113.913 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.96 -170.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.82 0.848 . . . . 0.0 109.779 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 11.0 pt-20 -98.15 165.97 11.64 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.784 0.434 . . . . 0.0 110.698 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.68 69.15 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.604 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 8.4 tp10 -55.9 -46.96 78.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.196 0.998 . . . . 0.0 110.708 171.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 21.7 mm-40 -69.99 -41.1 74.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.056 0.543 . . . . 0.0 110.906 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 49' ' ' LEU . 34.2 mm -56.84 -56.25 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.03 71.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.783 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.44 94.21 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.363 0.665 . . . . 0.0 111.186 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 1.1 tt -81.51 -36.39 29.26 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 49' ' ' LEU . 97.2 mt -56.87 -28.2 61.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.947 0.499 . . . . 0.0 110.802 175.049 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.64 -44.6 70.29 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 110.818 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 74.4 mtp180 -69.54 -39.54 77.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.245 0.618 . . . . 0.0 110.764 -175.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.9 -44.17 64.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.323 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -65.46 -29.4 70.07 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.974 0.416 . . . . 0.0 111.21 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.81 -32.1 72.39 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.688 0.795 . . . . 0.0 110.551 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -96.55 -24.47 16.04 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.654 0.782 . . . . 0.0 111.801 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.16 92.41 1.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.023 0.529 . . . . 0.0 110.602 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -73.95 -10.89 60.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.359 0.664 . . . . 0.0 110.65 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -81.07 14.56 2.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 112.349 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.3 160.64 24.14 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.044 0.449 . . . . 0.0 109.873 168.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -115.94 149.52 38.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 108.27 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 40.8 t -126.82 128.3 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 171.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 25' ' ' VAL . 21.6 t -116.56 127.0 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.2 pt-20 -85.48 112.44 20.9 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -112.05 139.72 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.5 tm-20 -124.76 107.57 11.07 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.5 t -162.49 164.85 26.8 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.178 0.591 . . . . 0.0 110.694 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.0 -54.72 6.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.813 0.845 . . . . 0.0 111.115 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -111.82 148.82 32.77 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.449 0.7 . . . . 0.0 110.647 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 40' ' ' GLN . 8.2 tp -106.96 -37.16 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.101 0.56 . . . . 0.0 112.142 -170.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -37.62 94.5 Favored Glycine 0 C--N 1.348 1.211 0 N-CA-C 113.924 0.329 . . . . 0.0 113.924 -167.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.4 t -66.27 -28.0 68.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.785 0.834 . . . . 0.0 112.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.593 HD13 HG12 ' A' ' 16' ' ' VAL . 2.0 pp -121.9 1.88 9.91 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.6 tp -157.99 137.36 11.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.634 0.774 . . . . 0.0 108.986 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.1 m -104.32 121.38 43.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.238 0.615 . . . . 0.0 111.361 -172.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mt -129.08 153.35 47.73 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.459 0.703 . . . . 0.0 111.4 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 -30.22 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.664 0.786 . . . . 0.0 110.05 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.42 -43.71 20.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 111.011 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -71.25 139.82 84.87 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.62 133.32 41.87 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.879 2.386 . . . . 0.0 111.852 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -72.62 118.58 15.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.566 0.747 . . . . 0.0 110.182 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.192 0 C-N-CA 124.716 1.206 . . . . 0.0 110.85 -177.81 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 75.3 mtm180 51.06 71.75 0.41 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.185 1.394 . . . . 0.0 111.537 -174.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 7' ' ' MET . 15.8 mt -106.44 166.51 10.49 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.186 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 18.6 ptpt -89.66 178.51 6.25 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 167.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.574 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.2 m -56.26 -47.52 78.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.522 0.729 . . . . 0.0 111.746 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.58 -51.61 68.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.847 1.259 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.6 tpt -73.3 -26.5 61.09 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.807 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -74.05 -40.97 62.45 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.055 0.542 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.09 -38.11 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 123.742 0.651 . . . . 0.0 110.671 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.3 m -55.7 -39.3 70.83 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.364 0.665 . . . . 0.0 110.528 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.31 63.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.302 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -42.31 94.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.802 1.241 . . . . 0.0 111.365 -171.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.6 mp -54.21 -50.91 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 O-C-N 123.799 0.687 . . . . 0.0 109.779 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -72.42 -24.77 61.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.814 0.446 . . . . 0.0 111.289 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.2 -45.09 96.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 111.043 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 2.9 m -74.77 -34.99 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.628 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.31 -28.3 67.05 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.287 0.635 . . . . 0.0 110.597 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.01 70.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.031 0.532 . . . . 0.0 110.748 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.39 -19.16 30.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.791 0.836 . . . . 0.0 111.549 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.14 48.94 Favored Glycine 0 C--N 1.347 1.142 0 C-N-CA 122.892 0.282 . . . . 0.0 113.625 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.52 -160.39 25.48 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.157 0.408 . . . . 0.0 113.317 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -132.68 155.28 49.08 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.542 1.137 . . . . 0.0 108.737 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.12 158.4 36.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.842 0.457 . . . . 0.0 111.241 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 128.83 1.06 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.257 0.973 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.12 99.66 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.61 -52.18 34.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.662 0.785 . . . . 0.0 111.34 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 47.9 tttm -118.09 147.33 43.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.395 0.678 . . . . 0.0 109.462 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -131.7 119.49 21.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.39 -122.8 4.1 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.56 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.63 126.37 35.6 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.47 -50.51 73.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.215 1.006 . . . . 0.0 112.463 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.71 -62.47 1.48 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.2 0.6 . . . . 0.0 111.31 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.03 4.14 49.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -166.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.08 174.53 49.25 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 -175.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.88 162.24 13.5 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.872 0.869 . . . . 0.0 109.009 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 5' ' ' SER . 40.9 mm -129.93 112.47 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.3 m-85 -113.77 113.75 25.38 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.602 0.761 . . . . 0.0 109.602 173.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.25 140.52 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.514 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.14 112.12 17.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.594 0.758 . . . . 0.0 109.41 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' HG13 ' A' ' 101' ' ' ILE . 46.7 tt0 -80.46 146.21 31.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.471 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 ttm180 -123.01 129.45 51.52 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.653 0.781 . . . . 0.0 109.513 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.9 mm? -97.92 147.85 24.04 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.273 1.029 . . . . 0.0 110.981 -174.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.89 -19.11 63.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.623 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.36 -21.88 61.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.067 0.947 . . . . 0.0 111.161 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.28 22.84 11.05 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.895 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -111.47 -178.4 3.44 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.559 0.743 . . . . 0.0 109.895 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 29.9 mt-10 -149.45 159.0 44.67 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.933 1.293 . . . . 0.0 110.025 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' ND2' HD21 ' A' ' 42' ' ' LEU . 23.4 m-80 -125.09 170.67 10.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.346 1.058 . . . . 0.0 108.534 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -139.35 141.68 37.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.131 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 46.9 m-85 -131.95 140.13 48.9 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.398 1.079 . . . . 0.0 109.302 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.67 160.61 24.58 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.93 108.65 2.35 Favored 'Trans proline' 0 C--N 1.364 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 110.656 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.32 151.14 97.45 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 123.647 0.779 . . . . 0.0 110.907 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -63.74 98.95 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.638 2.225 . . . . 0.0 111.352 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.92 148.68 50.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.249 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.4 p -73.28 89.74 1.59 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.192 0.597 . . . . 0.0 110.34 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -96.76 141.31 30.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.659 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.61 116.08 31.08 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 55.51 34.06 22.31 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.481 1.113 . . . . 0.0 111.624 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 64.39 15.24 9.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.675 1.19 . . . . 0.0 113.408 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.37 -53.1 39.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.999 0.52 . . . . 0.0 110.669 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.09 -15.78 57.76 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.251 1.02 . . . . 0.0 113.038 -173.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.61 -38.27 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.655 0.782 . . . . 0.0 110.946 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -129.03 -3.93 5.08 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.886 1.275 . . . . 0.0 111.474 -169.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -121.31 -3.02 9.47 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.377 0.671 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.37 165.48 27.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.842 0.857 . . . . 0.0 109.438 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 2' ' ' ARG . 32.0 tt0 -93.98 137.51 33.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.825 0.45 . . . . 0.0 110.259 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -87.54 131.92 34.22 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 110.253 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -85.06 156.93 20.88 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.03 174.89 5.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.825 0.45 . . . . 0.0 110.656 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.06 151.82 45.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.741 1.217 . . . . 0.0 108.703 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.9 m -84.95 104.21 14.69 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 26.7 mmm180 -65.29 -63.79 1.02 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.853 0.861 . . . . 0.0 109.765 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 49' ' ' LEU . 57.7 mt -118.21 155.67 30.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.402 1.081 . . . . 0.0 108.83 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.94 135.98 13.84 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.51 26.8 72.01 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.986 0.803 . . . . 0.0 113.404 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 74' ' ' LEU . 30.5 m -114.24 173.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.351 1.06 . . . . 0.0 110.341 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.8 pt-20 -86.24 166.12 15.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.84 0.456 . . . . 0.0 110.625 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.99 63.84 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 123.859 0.724 . . . . 0.0 114.128 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.9 -40.22 75.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.08 0.552 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 42.1 mm-40 -63.89 -40.89 97.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.441 0.696 . . . . 0.0 110.058 174.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 ' HG ' ' A' ' 49' ' ' LEU . 49.5 mm -59.79 -57.93 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.184 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.15 -20.05 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.443 0.697 . . . . 0.0 111.711 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.22 70.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.469 0.708 . . . . 0.0 111.417 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -82.98 -45.64 13.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.344 0.258 . . . . 0.0 111.549 170.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.16 -29.07 63.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.72 -35.2 74.81 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.398 0.437 . . . . 0.0 111.012 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.18 -46.6 41.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.795 0.838 . . . . 0.0 110.421 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.11 -42.47 96.88 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.239 0.616 . . . . 0.0 111.003 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -68.57 -28.54 67.04 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.621 0.576 . . . . 0.0 111.36 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -62.81 -46.17 89.2 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.678 0.791 . . . . 0.0 109.729 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -76.66 -45.25 30.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.126 0.57 . . . . 0.0 110.846 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.71 104.45 3.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.973 0.909 . . . . 0.0 110.012 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 t -67.72 -25.27 65.57 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.043 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -67.99 15.06 0.05 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.0 26.67 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.007 0.523 . . . . 0.0 109.799 165.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -118.55 128.13 54.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.554 1.142 . . . . 0.0 108.445 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 43.4 t -101.74 129.95 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.37 121.31 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -85.64 132.66 34.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.2 pt -129.9 124.3 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -101.23 102.92 13.91 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.7 t -164.5 156.48 16.17 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.75 0.82 . . . . 0.0 109.378 -174.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.62 -28.49 15.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.035 0.445 . . . . 0.0 110.375 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -103.48 152.08 22.08 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.62 1.168 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -126.5 -38.79 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -43.07 99.76 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.371 0.419 . . . . 0.0 113.107 -166.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.7 t -65.22 -23.66 67.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.291 1.036 . . . . 0.0 112.93 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -120.25 -0.94 10.34 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.384 0.673 . . . . 0.0 112.486 -172.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.406 HD23 HD11 ' A' ' 106' ' ' ILE . 56.6 tp -170.55 124.05 0.68 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.127 0.971 . . . . 0.0 109.221 176.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -88.12 134.49 33.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.322 0.649 . . . . 0.0 111.0 -174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 106' ' ' ILE . 30.8 mt -132.57 149.16 52.36 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.948 0.899 . . . . 0.0 111.386 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.31 -20.91 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.157 0.983 . . . . 0.0 110.287 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -87.13 -69.56 0.67 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.165 0.586 . . . . 0.0 109.969 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -69.82 143.94 92.78 Favored Pre-proline 0 N--CA 1.483 1.217 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.419 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.58 167.78 23.22 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.109 2.539 . . . . 0.0 112.983 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -70.93 115.53 10.17 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.542 -179.688 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 120.974 0.416 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 64' ' ' MET . 53.8 ttt85 -75.66 122.97 24.76 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 169.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.26 175.36 12.72 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.261 1.024 . . . . 0.0 109.405 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -69.27 165.24 21.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.579 0.228 . . . . 0.0 110.534 175.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.618 ' HB3' HD11 ' A' ' 36' ' ' ILE . 20.1 m -62.23 -34.76 77.11 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 110.673 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.3 tm-20 -65.77 -50.17 65.71 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.759 1.224 . . . . 0.0 110.28 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.548 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 7.9 tpt -67.63 -21.53 65.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.047 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.1 -47.92 40.21 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' GLU . 17.6 m -66.16 -37.58 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.583 0.552 . . . . 0.0 110.951 -177.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -63.58 -47.02 83.21 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.497 0.719 . . . . 0.0 110.134 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.11 -33.56 76.06 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.187 0.595 . . . . 0.0 111.316 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 110' ' ' LEU . 24.9 tp -63.3 -43.79 96.86 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.067 1.347 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 25' ' ' VAL . 80.2 mt -60.73 -40.11 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.871 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -26.22 61.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 76.0 mtp180 -69.53 -43.18 73.53 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.94 0.496 . . . . 0.0 110.512 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 109' ' ' LEU . 10.4 m -71.56 -40.71 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.692 -176.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 51.6 m-85 -69.47 -27.9 65.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.008 0.523 . . . . 0.0 110.916 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.38 67.9 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.072 0.549 . . . . 0.0 111.32 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.88 4.66 40.42 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.842 0.857 . . . . 0.0 111.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.83 -12.13 68.3 Favored Glycine 0 C--N 1.353 1.51 0 N-CA-C 114.16 0.424 . . . . 0.0 114.16 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.38 170.26 52.52 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.008 0.337 . . . . 0.0 113.63 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -107.6 159.11 16.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.878 1.271 . . . . 0.0 109.145 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.57 156.79 26.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.39 0.676 . . . . 0.0 111.462 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.02 132.55 1.74 Allowed 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.33 1.019 . . . . 0.0 109.71 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 13' ' ' ILE . 59.5 t -77.18 107.91 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.256 0.622 . . . . 0.0 109.905 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.66 -61.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 0.0 110.223 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -102.49 145.41 29.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.627 0.771 . . . . 0.0 110.076 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -144.17 123.53 13.08 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.525 0.73 . . . . 0.0 110.531 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.01 -123.54 2.65 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-O 119.921 -0.377 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.28 127.15 32.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.642 0.777 . . . . 0.0 110.588 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.54 -46.98 35.51 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.158 0.583 . . . . 0.0 112.316 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.0 -55.42 4.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.913 0.485 . . . . 0.0 111.029 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.76 16.39 25.99 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.83 154.83 34.44 Favored Glycine 0 C--N 1.347 1.143 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.63 154.41 24.94 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 5' ' ' SER . 35.0 mm -130.71 119.75 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 78.9 m-85 -116.24 114.84 24.95 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.381 1.073 . . . . 0.0 109.053 174.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.18 132.41 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -112.38 110.52 20.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.557 ' HA ' HG13 ' A' ' 101' ' ' ILE . 45.4 tt0 -80.87 138.28 36.18 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 39.9 ttt85 -112.25 115.1 28.25 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.24 145.04 55.59 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -17.55 21.98 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.02 -38.83 24.42 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.65 -28.19 0.67 Allowed Glycine 0 C--N 1.35 1.359 0 O-C-N 123.324 0.39 . . . . 0.0 112.937 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.5 176.56 6.72 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.063 0.545 . . . . 0.0 111.832 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 46.0 mt-10 -144.91 166.66 24.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.193 0.997 . . . . 0.0 111.56 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -140.13 143.06 36.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.805 1.242 . . . . 0.0 107.9 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 82' ' ' ILE . 14.4 tp -106.95 144.23 33.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -131.52 149.98 52.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.484 1.113 . . . . 0.0 109.114 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.0 168.76 26.9 Favored Glycine 0 N--CA 1.469 0.884 0 CA-C-O 119.297 -0.724 . . . . 0.0 111.878 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.63 109.83 2.98 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.71 2.274 . . . . 0.0 111.543 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.73 149.69 77.93 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.053 0.541 . . . . 0.0 111.296 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.69 99.78 0.56 Allowed 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.514 2.143 . . . . 0.0 110.334 173.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -62.78 148.85 45.63 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.827 -177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 m -74.6 92.15 2.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.782 0.433 . . . . 0.0 110.373 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -97.46 135.11 39.8 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.809 0.443 . . . . 0.0 111.306 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.73 126.47 51.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.212 1.005 . . . . 0.0 108.35 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 t70 67.23 14.16 9.64 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.126 1.37 . . . . 0.0 110.879 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.78 22.24 12.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.537 1.135 . . . . 0.0 111.375 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.88 -56.7 10.43 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.932 0.493 . . . . 0.0 110.357 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -55.72 -19.41 10.88 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.4 mm -57.27 -43.03 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 123.981 0.912 . . . . 0.0 110.829 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -125.96 3.87 7.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.101 0.96 . . . . 0.0 112.527 -178.017 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -102.88 -50.78 3.44 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.105 0.479 . . . . 0.0 109.985 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.0 171.87 7.09 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.608 0.763 . . . . 0.0 111.503 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.63 169.66 12.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.679 0.792 . . . . 0.0 110.808 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -94.73 151.19 19.47 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.386 0.674 . . . . 0.0 110.05 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -121.28 151.27 40.23 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.45 175.48 5.56 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.29 0.636 . . . . 0.0 111.45 -172.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.79 162.73 34.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.7 1.2 . . . . 0.0 109.369 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 32.9 m -98.99 106.32 18.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.411 0.684 . . . . 0.0 109.663 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -76.74 -53.45 7.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.63 0.772 . . . . 0.0 110.512 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.6 mt -126.92 161.01 29.31 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.131 0.972 . . . . 0.0 108.635 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.91 136.8 12.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.992 0.517 . . . . 0.0 111.333 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.57 22.33 67.76 Favored Glycine 0 C--N 1.354 1.564 0 O-C-N 123.674 0.608 . . . . 0.0 114.14 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.9 m -96.11 -169.04 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.09 0.956 . . . . 0.0 110.013 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.3 pt-20 -104.73 166.84 10.12 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.93 -17.62 58.73 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.367 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.81 -34.24 60.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.071 0.548 . . . . 0.0 110.748 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 12.6 mm-40 -69.88 -38.05 76.23 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 175.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 49' ' ' LEU . 45.3 mm -57.96 -56.07 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.377 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.24 66.99 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.908 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.99 79.65 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.838 0.711 . . . . 0.0 111.712 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.52 -43.24 15.96 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 117.564 0.166 . . . . 0.0 111.279 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 73.8 mt -50.24 -40.45 47.8 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.387 0.675 . . . . 0.0 111.428 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.72 -33.37 75.49 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.422 0.689 . . . . 0.0 111.826 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -73.54 -53.28 10.93 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 110.127 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.17 -43.23 92.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.995 0.918 . . . . 0.0 111.409 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -70.46 -30.82 67.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 123.441 0.463 . . . . 0.0 111.92 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -36.01 81.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.773 0.829 . . . . 0.0 110.525 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.38 -61.5 1.93 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.971 0.509 . . . . 0.0 109.793 171.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.39 103.97 5.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.622 0.769 . . . . 0.0 109.721 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -78.95 -0.75 32.23 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.036 1.334 . . . . 0.0 112.834 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.69 6.31 5.04 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.36 161.68 27.85 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.136 0.493 . . . . 0.0 110.179 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -115.73 143.59 45.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.304 1.042 . . . . 0.0 108.779 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 97.5 t -119.26 117.95 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.1 t -112.44 119.44 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.0 pt-20 -86.16 107.67 17.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.557 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.1 pt -104.94 134.13 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.37 110.27 19.11 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -159.28 159.38 33.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 111.385 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.54 -44.68 33.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.93 0.892 . . . . 0.0 110.648 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.23 176.96 5.07 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.738 0.815 . . . . 0.0 109.745 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tp -129.03 -32.65 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -173.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.52 -35.66 92.33 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -165.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -26.34 60.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.959 0.504 . . . . 0.0 112.224 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 2.7 pp -118.11 -3.33 11.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -167.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 12' ' ' LEU . 48.4 tp -155.74 136.35 13.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -95.76 127.38 41.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.028 0.531 . . . . 0.0 110.915 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 mt -130.26 149.94 51.73 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.584 0.753 . . . . 0.0 111.72 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.46 -30.51 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.153 0.981 . . . . 0.0 109.725 174.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.02 -61.64 1.82 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.579 0.752 . . . . 0.0 110.901 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 29.6 mm-40 -62.99 147.63 93.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 O-C-N 123.717 0.636 . . . . 0.0 111.283 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.45 155.83 67.75 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.517 2.145 . . . . 0.0 112.178 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.99 -39.23 91.53 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.497 0.719 . . . . 0.0 111.815 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.252 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.134 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 56.19 68.03 0.92 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.635 1.174 . . . . 0.0 111.405 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -132.38 -176.62 4.14 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.933 0.893 . . . . 0.0 110.726 -173.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 98.5 mttt -72.05 158.09 36.59 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.234 170.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' ILE . 10.5 m -60.08 -35.07 74.39 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.154 0.982 . . . . 0.0 110.474 172.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 34.1 tt0 -60.29 -51.02 71.31 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.539 1.135 . . . . 0.0 111.402 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.519 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.4 tpt -73.21 -25.69 60.86 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.833 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.49 -53.91 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 124.005 0.816 . . . . 0.0 111.016 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 22.7 m -55.94 -48.37 75.86 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.014 0.821 . . . . 0.0 110.21 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -62.68 -39.28 93.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.536 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.96 -42.95 95.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.353 1.061 . . . . 0.0 109.865 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.0 mt -62.39 -40.51 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.347 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 10' ' ' SER . 4.8 mpt_? -68.81 -30.36 68.91 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.986 0.514 . . . . 0.0 111.31 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 97.6 mtt180 -66.98 -46.18 75.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.393 0.677 . . . . 0.0 110.6 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG12 HD13 ' A' ' 109' ' ' LEU . 5.3 m -71.23 -41.61 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -68.26 -28.95 67.66 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.145 0.578 . . . . 0.0 110.763 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.71 77.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.033 0.533 . . . . 0.0 110.808 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.59 -5.27 59.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.706 0.802 . . . . 0.0 112.162 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.71 -3.84 61.16 Favored Glycine 0 C--N 1.353 1.493 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.79 -170.56 44.53 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.393 0.521 . . . . 0.0 113.691 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -124.91 159.18 31.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 0.0 109.096 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.58 158.97 36.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.722 0.809 . . . . 0.0 110.462 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.75 120.18 1.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.254 0.971 . . . . 0.0 109.383 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.53 104.05 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 121.678 0.752 . . . . 0.0 109.984 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.34 -59.96 2.57 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -100.15 147.01 26.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.34 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.3 tttm -127.98 118.1 22.93 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.837 0.855 . . . . 0.0 109.258 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 -139.37 7.82 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.251 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.32 144.93 39.9 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.148 0.579 . . . . 0.0 111.253 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 65.6 mt-10 -67.54 -63.16 1.12 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.435 -176.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.77 -34.07 14.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.725 0.41 . . . . 0.0 111.934 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.1 27.6 9.45 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.233 0.613 . . . . 0.0 111.637 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.9 142.15 16.8 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 116.748 -0.206 . . . . 0.0 113.024 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.42 156.76 32.87 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 5' ' ' SER . 31.2 mm -137.95 105.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -109.56 112.1 24.0 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.84 146.52 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.669 1.188 . . . . 0.0 108.35 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 10.1 ptp85 -116.97 125.64 51.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -83.72 141.43 31.46 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -120.38 114.03 21.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -69.57 148.95 48.71 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.435 0.459 . . . . 0.0 110.025 174.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -60.58 -19.63 58.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.203 1.001 . . . . 0.0 111.49 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.92 -51.92 42.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.358 0.663 . . . . 0.0 110.384 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.07 -13.95 2.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.896 -0.593 . . . . 0.0 113.165 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -71.98 163.29 28.12 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.264 0.532 . . . . 0.0 109.99 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.54 156.03 47.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.898 0.479 . . . . 0.0 111.201 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.553 HD21 ' HA ' ' A' ' 75' ' ' ALA . 12.2 m120 -135.82 138.53 42.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.331 1.052 . . . . 0.0 108.71 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 82' ' ' ILE . 12.4 tp -101.8 143.94 31.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.556 0.743 . . . . 0.0 109.301 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -126.37 162.13 26.25 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.56 1.144 . . . . 0.0 110.415 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.43 168.45 32.64 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.84 115.78 4.26 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.745 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . . . -83.28 158.7 63.42 Favored Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 122.564 0.345 . . . . 0.0 110.147 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.93 161.64 32.21 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.408 2.072 . . . . 0.0 111.517 170.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -120.16 171.96 8.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.581 0.752 . . . . 0.0 109.633 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -85.19 97.78 10.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.33 143.48 51.02 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.479 0.711 . . . . 0.0 110.827 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.86 126.53 54.91 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.998 0.919 . . . . 0.0 109.28 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.03 16.65 10.09 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 124.642 1.177 . . . . 0.0 111.746 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.27 20.06 11.48 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.343 1.057 . . . . 0.0 112.273 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.68 -35.35 52.35 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.004 0.921 . . . . 0.0 111.089 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -84.57 -4.71 59.12 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.735 0.814 . . . . 0.0 113.013 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.73 -48.73 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 C-N-CA 123.511 0.724 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -26.05 17.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.643 -176.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -98.99 2.38 46.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.123 0.969 . . . . 0.0 111.776 -166.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.97 146.8 36.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.191 0.996 . . . . 0.0 108.846 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.66 144.69 37.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -97.79 158.29 15.6 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.516 0.726 . . . . 0.0 109.813 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -99.62 159.92 14.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.1 m-85 -101.37 176.44 5.24 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.88 0.472 . . . . 0.0 110.46 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 14.7 pt-20 -137.61 159.39 42.1 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.347 1.059 . . . . 0.0 109.783 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -99.71 112.47 24.71 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -72.63 -50.84 22.53 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.47 0.652 . . . . 0.0 109.912 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -130.24 147.06 51.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 108.168 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.553 ' HA ' HD21 ' A' ' 48' ' ' ASN . . . -144.47 135.16 24.81 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.201 0.455 . . . . 0.0 112.121 -177.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.65 44.41 96.9 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 124.306 1.004 . . . . 0.0 112.625 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.24 -178.36 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.666 1.187 . . . . 0.0 109.757 -175.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.23 168.17 10.59 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.097 0.559 . . . . 0.0 110.959 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.15 -25.68 69.81 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.939 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.9 -45.97 90.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.223 0.609 . . . . 0.0 110.32 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.71 -40.53 95.34 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.644 0.778 . . . . 0.0 111.122 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 HD13 ' A' ' 49' ' ' LEU . 31.0 mm -58.96 -56.09 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.75 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.2 68.06 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.882 0.873 . . . . 0.0 112.103 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.17 77.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.438 0.695 . . . . 0.0 111.438 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.13 -41.08 20.95 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.476 0.485 . . . . 0.0 111.278 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 80.9 mt -56.23 -32.2 64.23 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.803 0.441 . . . . 0.0 111.728 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -33.94 68.58 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.669 0.606 . . . . 0.0 110.492 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.91 -44.48 61.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.003 0.521 . . . . 0.0 109.898 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.85 -39.52 63.93 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.493 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -66.19 -28.94 69.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 123.27 0.356 . . . . 0.0 111.572 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -59.01 -43.9 91.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.998 0.919 . . . . 0.0 110.224 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -77.53 -51.29 10.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.26 0.624 . . . . 0.0 111.234 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -139.62 108.27 5.92 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.088 0.955 . . . . 0.0 109.789 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -78.08 -2.22 36.23 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.085 0.954 . . . . 0.0 111.822 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.7 2.04 7.3 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -77.31 150.47 35.24 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.389 0.614 . . . . 0.0 111.098 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.441 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 18.6 m95 -107.52 141.47 38.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.821 1.249 . . . . 0.0 107.706 172.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.97 116.62 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.11 113.11 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 8.1 pt-20 -90.03 108.14 19.55 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.083 0.468 . . . . 0.0 109.921 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . 29.5 pt -105.11 145.15 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.782 . . . . 0.0 109.722 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -118.65 116.64 27.02 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.561 HG21 HD11 ' A' ' 109' ' ' LEU . 9.8 t -159.23 153.67 24.09 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.966 0.412 . . . . 0.0 111.292 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -82.69 -38.15 23.8 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.17 0.988 . . . . 0.0 111.288 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.97 132.88 54.34 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.574 0.749 . . . . 0.0 109.258 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 112' ' ' LEU . 9.2 tp -95.17 -36.54 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 122.874 0.47 . . . . 0.0 112.258 -172.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.5 -41.16 98.57 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 -165.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.0 t -65.89 -27.19 68.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.229 1.012 . . . . 0.0 112.681 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.597 HD13 HG12 ' A' ' 16' ' ' VAL . 1.7 pp -117.85 -3.7 11.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.76 0.824 . . . . 0.0 112.009 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.6 tp -170.12 106.45 0.33 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.326 1.05 . . . . 0.0 108.736 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 m -85.56 132.68 34.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.63 0.772 . . . . 0.0 111.153 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.443 HD11 HG12 ' A' ' 106' ' ' ILE . 10.9 mt -127.85 147.83 50.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.635 1.174 . . . . 0.0 110.107 -171.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.73 -27.73 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.774 0.829 . . . . 0.0 110.285 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -67.76 -55.88 11.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.112 0.965 . . . . 0.0 110.282 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.18 154.29 92.23 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.407 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.61 -70.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 122.575 2.184 . . . . 0.0 113.241 -173.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -152.71 -173.5 4.59 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.519 1.127 . . . . 0.0 109.507 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.697 171.723 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -81.4 105.97 13.0 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -154.21 173.99 15.37 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.983 1.313 . . . . 0.0 108.886 -175.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.24 161.65 26.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.633 0.373 . . . . 0.0 110.928 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 36' ' ' ILE . 22.6 m -62.81 -30.29 71.36 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.802 0.841 . . . . 0.0 111.009 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.18 -52.85 63.08 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.685 0.794 . . . . 0.0 110.844 173.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.612 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.8 tpt -74.87 -22.86 58.42 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.94 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.51 -43.41 90.19 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.95 -51.26 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.045 0.841 . . . . 0.0 110.659 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 18.9 m -58.08 -37.92 75.4 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.046 0.841 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -73.15 -38.72 66.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.63 0.772 . . . . 0.0 110.874 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.1 -42.95 99.69 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.648 1.179 . . . . 0.0 109.45 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 23' ' ' ALA . 89.7 mt -60.46 -42.58 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.476 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 10' ' ' SER . 8.4 mpt_? -69.94 -28.66 65.75 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.017 0.527 . . . . 0.0 111.305 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 98.7 mtt180 -66.53 -42.3 87.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.241 0.616 . . . . 0.0 110.791 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 109' ' ' LEU . 4.4 m -72.56 -39.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.135 -175.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.63 -28.72 66.15 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.775 0.43 . . . . 0.0 110.451 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.27 73.87 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.843 0.457 . . . . 0.0 110.787 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.29 -16.62 36.96 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.746 0.818 . . . . 0.0 111.931 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.98 -16.23 28.02 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 122.982 0.325 . . . . 0.0 113.537 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.99 -176.64 41.17 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 114.22 0.448 . . . . 0.0 114.22 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -112.56 157.61 20.96 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.541 1.137 . . . . 0.0 109.544 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.1 157.42 32.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.548 0.739 . . . . 0.0 111.178 173.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.84 122.38 0.98 Allowed 'General case' 0 C--N 1.351 0.655 0 O-C-N 123.949 0.78 . . . . 0.0 110.142 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -85.83 102.07 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 121.578 0.704 . . . . 0.0 110.426 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.71 -61.24 1.94 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.616 1.167 . . . . 0.0 111.583 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 42.9 tttm -95.92 148.05 23.03 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.83 0.348 . . . . 0.0 110.489 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.5 tttm -125.1 148.02 48.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 109.908 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.86 -127.9 2.52 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.902 169.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.33 145.96 27.98 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.87 0.868 . . . . 0.0 111.543 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.54 -64.08 1.03 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 112.098 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -43.73 8.03 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.907 0.483 . . . . 0.0 111.124 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.15 -2.61 45.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.634 0.773 . . . . 0.0 112.966 -172.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.37 144.26 22.32 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-O 119.906 -0.386 . . . . 0.0 112.812 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -77.16 161.77 27.94 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 5' ' ' SER . 30.3 mm -132.41 115.68 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 84.2 m-85 -114.3 116.43 28.97 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.75 138.49 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.977 1.311 . . . . 0.0 109.407 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.657 HH22 HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -111.55 125.07 53.52 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 170.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.539 ' HA ' HG13 ' A' ' 101' ' ' ILE . 6.1 tt0 -81.25 134.5 35.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 165.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 47.1 ttt85 -113.59 120.6 41.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 46' ' ' ARG . 71.3 mt -92.43 157.51 16.55 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.623 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -54.62 -30.93 56.31 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.183 1.393 . . . . 0.0 111.954 170.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -28.85 68.85 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.643 1.177 . . . . 0.0 111.802 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.96 37.07 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.683 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB2' HD12 ' A' ' 42' ' ' LEU . 33.5 mmt180 -87.8 164.38 15.96 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.217 0.607 . . . . 0.0 109.532 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.2 mt-10 -140.58 160.95 38.89 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.557 0.743 . . . . 0.0 110.054 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.417 HD22 ' HG2' ' A' ' 40' ' ' GLN . 9.0 m-80 -137.0 130.53 31.59 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -99.88 142.21 31.66 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -177.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 37.7 m-85 -130.19 134.17 47.1 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 124.376 1.071 . . . . 0.0 108.747 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.83 165.89 14.66 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.23 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 C-N-CA 122.165 1.91 . . . . 0.0 110.1 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.48 148.16 81.19 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 123.112 0.565 . . . . 0.0 111.535 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.45 104.11 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.708 2.272 . . . . 0.0 110.587 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.99 142.66 50.53 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.696 0.799 . . . . 0.0 110.351 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.8 m -76.21 76.25 3.02 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 172.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -102.09 146.99 27.14 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.208 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.76 113.19 23.95 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 169.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.26 34.71 13.09 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.419 1.087 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 47.27 27.49 0.87 Allowed 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 126.214 1.806 . . . . 0.0 113.856 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -72.48 -50.64 24.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.362 0.665 . . . . 0.0 110.677 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.79 -7.79 5.66 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.247 1.019 . . . . 0.0 113.535 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 mm -63.2 -41.46 92.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-O 121.564 0.697 . . . . 0.0 109.751 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.3 mtm -99.87 -45.13 5.82 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.877 1.271 . . . . 0.0 110.131 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -74.11 -8.04 54.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.86 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.81 152.14 38.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.931 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.46 126.9 31.16 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 171.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -82.92 135.82 34.78 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.963 0.411 . . . . 0.0 109.917 176.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.3 164.71 13.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.491 0.716 . . . . 0.0 109.693 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.96 173.12 6.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.79 148.01 50.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.638 1.175 . . . . 0.0 108.69 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -81.34 100.13 9.04 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 175.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.5 mmm180 -67.28 -59.39 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.682 0.793 . . . . 0.0 109.671 177.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -122.19 158.42 29.44 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.147 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.44 136.62 14.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.577 0.351 . . . . 0.0 111.199 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.3 22.56 71.14 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.892 0.745 . . . . 0.0 113.352 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.39 -166.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.368 1.067 . . . . 0.0 109.847 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.5 pt-20 -122.13 174.81 6.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.687 0.395 . . . . 0.0 110.765 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -23.63 63.33 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 124.012 0.82 . . . . 0.0 114.688 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.22 -49.0 75.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.894 0.478 . . . . 0.0 110.571 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -62.86 -39.81 95.54 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.002 0.814 . . . . 0.0 110.752 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.533 HG23 ' HG ' ' A' ' 49' ' ' LEU . 43.5 mm -59.5 -50.48 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.467 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.45 64.15 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.666 0.786 . . . . 0.0 111.79 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -31.79 72.61 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -80.75 -38.1 29.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.804 174.083 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.657 HD21 HH22 ' A' ' 39' ' ' ARG . 62.3 mt -51.14 -39.29 55.95 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.878 0.471 . . . . 0.0 111.941 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -32.53 70.98 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.867 0.729 . . . . 0.0 109.949 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -73.18 -41.67 63.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.476 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -77.41 -41.2 40.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.554 0.741 . . . . 0.0 111.764 -174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -66.88 -25.96 66.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 123.571 0.544 . . . . 0.0 111.39 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -55.6 -43.56 76.17 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.211 0.605 . . . . 0.0 111.111 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -89.64 -46.15 8.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.951 0.901 . . . . 0.0 111.624 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -136.8 96.84 3.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.939 1.296 . . . . 0.0 108.362 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -78.09 -2.8 39.11 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.97 14.83 3.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.244 0.618 . . . . 0.0 112.115 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 1.5 pp -73.81 156.33 37.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.65 0.38 . . . . 0.0 110.369 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.41 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m95 -116.07 128.01 55.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.182 0.993 . . . . 0.0 108.916 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.452 HG13 ' CZ ' ' A' ' 39' ' ' ARG . 53.1 t -97.89 117.09 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.79 126.59 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -93.14 143.73 25.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 168.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 43.1 pt -137.59 129.39 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -108.17 102.5 11.64 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.9 t -168.37 154.61 7.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.17 0.988 . . . . 0.0 108.876 -176.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -89.92 -33.97 16.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.1 0.56 . . . . 0.0 110.442 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.57 109.98 21.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.915 0.886 . . . . 0.0 110.057 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -85.86 -33.72 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.974 0.509 . . . . 0.0 111.266 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.05 5.53 18.35 Favored Glycine 0 C--N 1.348 1.222 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -167.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -115.46 -9.59 12.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 117.875 0.838 . . . . 0.0 111.633 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -135.56 0.54 2.75 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.235 0.614 . . . . 0.0 112.247 -171.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 tp -165.49 128.66 2.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.268 1.027 . . . . 0.0 108.763 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.6 m -94.33 137.33 33.62 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.666 0.786 . . . . 0.0 110.754 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -130.64 148.02 52.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.442 1.097 . . . . 0.0 110.529 -173.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.8 m -77.95 -27.12 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.488 0.715 . . . . 0.0 110.213 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.17 -57.58 3.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 111.062 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -65.3 148.44 97.96 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.311 0.644 . . . . 0.0 111.432 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -63.97 145.88 90.52 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.704 2.269 . . . . 0.0 112.614 -173.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -77.92 169.68 17.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.111 0.964 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 C-N-CA 123.551 0.74 . . . . 0.0 110.622 -179.513 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.28 29.93 13.8 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.415 1.486 . . . . 0.0 111.893 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -91.92 174.07 7.52 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.969 0.508 . . . . 0.0 110.632 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.0 mtmm -68.08 162.21 25.13 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.875 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 36' ' ' ILE . 49.9 m -55.79 -42.89 76.25 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.463 1.105 . . . . 0.0 111.752 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.56 -44.3 74.78 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.519 0.728 . . . . 0.0 110.514 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.551 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.1 tpt -68.22 -24.36 64.91 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.488 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -76.48 -49.95 15.26 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 ' CE3' ' A' ' 97' ' ' TRP . 33.8 m -67.32 -36.51 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 123.615 0.572 . . . . 0.0 111.848 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m -62.92 -49.61 74.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.029 0.531 . . . . 0.0 109.634 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.41 -32.52 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.365 0.666 . . . . 0.0 111.499 177.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.48 -40.72 95.59 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.897 1.279 . . . . 0.0 111.14 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.529 HD11 HG23 ' A' ' 25' ' ' VAL . 95.8 mt -64.58 -36.92 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.518 176.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -74.15 -25.12 59.56 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.486 0.314 . . . . 0.0 110.899 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 70.2 mtp180 -66.39 -43.86 84.68 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.758 0.423 . . . . 0.0 110.318 174.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 109' ' ' LEU . 3.8 m -70.78 -38.64 73.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -71.45 -28.41 63.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.933 0.493 . . . . 0.0 110.739 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -30.03 70.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.893 0.477 . . . . 0.0 111.037 170.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.55 -19.9 28.76 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.559 0.743 . . . . 0.0 111.701 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.56 -4.73 37.28 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.895 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.46 -177.37 51.74 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 122.958 0.314 . . . . 0.0 113.214 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 92.8 t80 -112.87 159.0 19.48 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.225 1.01 . . . . 0.0 109.585 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.91 160.44 27.92 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.158 0.583 . . . . 0.0 111.932 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.63 137.36 0.8 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.488 1.118 . . . . 0.0 109.844 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 13' ' ' ILE . 86.1 t -82.14 115.02 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 122.974 0.51 . . . . 0.0 109.761 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.87 -51.4 7.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.895 0.878 . . . . 0.0 110.775 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -114.95 140.45 49.01 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.612 0.765 . . . . 0.0 110.002 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 57.2 tttm -129.81 119.32 23.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.536 0.734 . . . . 0.0 109.96 -174.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.31 -132.26 4.04 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.91 -0.383 . . . . 0.0 112.505 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.83 121.15 15.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.052 0.941 . . . . 0.0 111.494 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 44.0 mt-10 -63.21 -35.39 80.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.818 0.847 . . . . 0.0 112.975 -172.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -47.17 6.53 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.19 11.24 14.06 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -168.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.43 138.96 43.39 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 113.791 0.276 . . . . 0.0 113.791 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.71 109.32 11.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.571 0.748 . . . . 0.0 110.674 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 5' ' ' SER . 24.6 mm -85.53 105.34 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 122.121 -0.362 . . . . 0.0 110.401 -171.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.1 m-85 -103.11 113.2 26.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.954 0.902 . . . . 0.0 109.416 172.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.8 139.23 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.821 0.848 . . . . 0.0 109.066 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.74 ' HD3' HG21 ' A' ' 82' ' ' ILE . 19.6 ptt85 -113.09 122.96 49.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.539 ' HA ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -78.37 143.8 36.52 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 50.3 ttt85 -124.99 115.85 21.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.087 0.555 . . . . 0.0 109.97 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.4 mm? -84.57 154.61 22.51 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.941 0.896 . . . . 0.0 109.537 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -21.45 64.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.794 0.838 . . . . 0.0 112.182 177.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.82 -12.64 61.07 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.391 1.076 . . . . 0.0 111.514 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.72 -7.21 63.07 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -89.82 167.81 12.56 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.098 0.559 . . . . 0.0 110.141 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -147.61 166.44 27.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.692 0.797 . . . . 0.0 110.627 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' ND2' HD21 ' A' ' 42' ' ' LEU . 26.6 m-80 -136.55 133.09 36.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -101.16 143.13 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.057 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 31.0 m-85 -129.84 143.67 50.93 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.814 1.245 . . . . 0.0 108.787 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.22 169.58 23.93 Favored Glycine 0 N--CA 1.466 0.689 0 CA-C-O 119.06 -0.856 . . . . 0.0 111.179 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.88 111.18 2.11 Favored 'Trans proline' 0 C--N 1.367 1.55 0 C-N-CA 122.351 2.034 . . . . 0.0 110.931 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.55 153.8 95.29 Favored Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 123.333 0.653 . . . . 0.0 111.763 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.24 95.12 0.25 Allowed 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.548 2.166 . . . . 0.0 111.119 170.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.8 125.44 23.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.702 0.801 . . . . 0.0 109.853 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 p -81.26 78.44 8.04 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 109.272 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -89.59 177.91 6.42 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.15 101.66 7.52 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 75.68 -68.3 0.21 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.535 1.934 . . . . 0.0 110.801 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -175.5 11.31 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.887 0.875 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.79 -56.9 4.29 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 122.029 -0.42 . . . . 0.0 111.39 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.47 -8.94 29.52 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mm -50.02 -44.03 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.761 1.224 . . . . 0.0 111.658 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.6 11.83 6.82 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.962 0.905 . . . . 0.0 111.199 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmm-85 -109.54 -13.41 14.56 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.471 0.708 . . . . 0.0 109.884 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.64 139.27 43.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.554 1.142 . . . . 0.0 108.816 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.91 157.33 37.63 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.646 0.778 . . . . 0.0 111.253 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -65.54 135.25 54.88 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.001 0.92 . . . . 0.0 109.789 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -117.2 151.14 37.51 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 173.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.6 m-85 -100.48 172.11 7.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.713 -172.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 11.0 pt-20 -134.77 145.58 48.55 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.894 1.278 . . . . 0.0 107.999 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.401 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 13.2 m -79.7 102.23 8.86 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 25.8 mmm180 -68.39 -71.7 0.2 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 110.031 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 49' ' ' LEU . 77.1 mt -105.74 157.6 17.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.825 0.85 . . . . 0.0 108.88 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.54 135.46 15.55 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.507 0.323 . . . . 0.0 111.63 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.51 31.32 63.13 Favored Glycine 0 C--N 1.358 1.751 0 O-C-N 124.304 1.002 . . . . 0.0 113.254 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.5 -165.36 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 C-N-CA 125.009 1.324 . . . . 0.0 108.26 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -127.69 176.09 7.79 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.152 0.887 . . . . 0.0 110.962 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.57 -24.79 62.35 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 123.902 0.751 . . . . 0.0 113.824 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.32 -48.59 79.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.438 0.695 . . . . 0.0 110.349 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.71 -37.26 82.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.281 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.74 HG21 ' HD3' ' A' ' 39' ' ' ARG . 37.9 mm -65.29 -57.09 12.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.657 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.97 -24.65 68.0 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.002 0.814 . . . . 0.0 111.638 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.16 89.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.389 0.676 . . . . 0.0 110.912 174.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -74.55 -40.52 61.64 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 178.229 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.4 mt -58.07 -29.04 65.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.111 0.564 . . . . 0.0 110.736 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.0 tp10 -68.98 -41.57 77.7 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 111.123 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -72.61 -53.22 12.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.807 0.443 . . . . 0.0 110.536 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HG2' ' HG ' ' A' ' 85' ' ' LEU . 21.9 mm-40 -63.55 -34.52 77.98 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.269 1.028 . . . . 0.0 112.214 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.8 ptt180 -64.65 -30.68 71.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.382 0.426 . . . . 0.0 111.293 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -66.15 -41.21 90.73 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.382 0.673 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.95 -42.25 27.35 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.135 0.574 . . . . 0.0 110.236 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -142.15 96.68 3.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.439 1.096 . . . . 0.0 109.629 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 t -77.14 -8.83 58.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.559 0.743 . . . . 0.0 110.904 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -84.89 9.55 14.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.439 0.695 . . . . 0.0 112.32 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.73 154.84 36.15 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TRP . . . . . 0.448 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 20.6 m95 -112.82 135.7 53.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.437 1.095 . . . . 0.0 109.306 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 58.3 t -109.48 125.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 25' ' ' VAL . 22.1 t -119.78 123.12 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.4 pt-20 -87.08 129.6 34.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 169.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -126.77 131.3 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 42.7 tt0 -103.06 106.17 16.64 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.485 HG21 HD11 ' A' ' 109' ' ' LEU . 9.0 t -165.37 162.04 19.31 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.276 0.63 . . . . 0.0 110.621 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.99 -29.55 11.33 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.386 1.074 . . . . 0.0 109.765 171.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.94 99.68 9.6 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 108.948 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 112' ' ' LEU . 8.5 tp -84.21 -35.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.953 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.17 69.16 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.46 0.544 . . . . 0.0 114.46 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -85.41 -27.53 25.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.127 0.571 . . . . 0.0 111.541 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -121.94 -3.26 9.15 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -168.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -159.98 137.76 9.9 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.671 0.788 . . . . 0.0 109.003 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 m -95.9 133.38 40.14 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.884 0.473 . . . . 0.0 111.104 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 70' ' ' PHE . 20.8 mt -127.21 151.02 49.24 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.828 0.851 . . . . 0.0 110.659 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.37 -24.64 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.949 0.9 . . . . 0.0 109.944 172.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -85.58 -65.89 0.96 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 111.068 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 15.7 mm100 -64.17 142.13 98.21 Favored Pre-proline 0 N--CA 1.477 0.883 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.12 121.73 9.9 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.36 2.706 . . . . 0.0 111.701 167.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -80.32 -156.51 0.13 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.107 0.963 . . . . 0.0 110.245 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.158 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.126 -175.036 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 . . . . . 0 CA--C 1.543 0.708 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -142.01 177.77 7.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.766 0.826 . . . . 0.0 110.665 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.667 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.3 ptpt -80.16 169.83 17.27 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.708 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.8 m -59.18 -46.38 88.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.545 1.138 . . . . 0.0 111.961 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.24 -36.02 82.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.993 0.917 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.498 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.7 tpt -77.34 -26.57 52.2 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.576 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -73.36 -45.79 52.89 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 36' ' ' ILE . 35.5 m -61.47 -43.64 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 123.602 0.564 . . . . 0.0 111.328 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.2 p -65.14 -44.48 88.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.369 0.667 . . . . 0.0 110.421 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.2 -34.63 78.47 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.3 0.64 . . . . 0.0 111.613 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.405 1.082 . . . . 0.0 109.63 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 16' ' ' VAL . 95.9 mt -60.14 -40.84 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.902 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -69.37 -27.35 65.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.499 0.32 . . . . 0.0 111.074 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . 18.2 mtp180 -69.05 -43.31 74.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.492 0.317 . . . . 0.0 110.711 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 109' ' ' LEU . 5.7 m -72.06 -37.73 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.936 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -69.05 -28.89 66.95 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.361 0.664 . . . . 0.0 110.401 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.4 64.4 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.15 0.58 . . . . 0.0 111.293 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.52 -0.61 54.49 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.706 0.802 . . . . 0.0 111.633 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.33 -11.55 71.44 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.969 -0.35 . . . . 0.0 113.719 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.44 -166.56 23.46 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 122.887 0.28 . . . . 0.0 113.468 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 84.1 t80 -129.06 156.57 43.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.553 1.141 . . . . 0.0 109.544 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.12 160.32 32.85 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.054 0.542 . . . . 0.0 111.814 173.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.25 133.6 1.8 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.052 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.05 109.43 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 122.955 0.502 . . . . 0.0 109.918 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.6 -66.02 0.94 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 110.92 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -100.09 146.78 26.39 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.807 0.443 . . . . 0.0 110.312 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 86.3 tttt -124.44 134.78 52.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.02 . . . . 0.0 109.488 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.95 -127.83 3.07 Favored Glycine 0 N--CA 1.471 0.997 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.7 131.61 34.56 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 117.539 0.67 . . . . 0.0 110.808 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 -46.17 69.8 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -87.26 -58.72 2.48 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.052 0.541 . . . . 0.0 111.904 -174.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.25 5.22 39.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.737 0.815 . . . . 0.0 112.716 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.14 159.2 51.57 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 -171.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.47 159.3 22.93 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 5' ' ' SER . 37.4 mm -137.62 117.88 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 33.0 m-85 -120.63 112.33 18.77 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.708 0.803 . . . . 0.0 109.206 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.41 134.74 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.776 0.83 . . . . 0.0 109.065 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.8 ptp180 -105.76 120.53 41.94 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 54.9 tt0 -88.02 127.51 35.39 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 43.6 ttt85 -106.15 105.96 16.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.36 126.03 31.1 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -7.14 9.48 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.86 -25.83 67.37 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.11 0.964 . . . . 0.0 110.401 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.61 7.25 9.9 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.594 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.91 167.94 10.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.499 0.72 . . . . 0.0 109.086 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 34.1 mt-10 -144.43 155.87 43.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.731 0.812 . . . . 0.0 110.102 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -124.85 164.73 19.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.457 1.503 . . . . 0.0 108.207 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -135.25 142.3 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 175.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.9 m-85 -129.94 155.24 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.457 1.103 . . . . 0.0 108.794 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.71 172.98 29.59 Favored Glycine 0 N--CA 1.465 0.582 0 CA-C-O 119.224 -0.765 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.86 125.02 12.08 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.992 1.795 . . . . 0.0 110.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.967 0 C-N-CA 123.582 0.753 . . . . 0.0 111.485 -178.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--O 1.246 0.897 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.53 112.13 4.52 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.548 170.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -75.57 164.04 26.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.728 0.811 . . . . 0.0 109.57 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.53 177.31 4.96 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 123.756 0.822 . . . . 0.0 110.495 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -142.59 169.4 17.64 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.751 1.22 . . . . 0.0 108.947 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -97.65 108.44 21.15 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.1 mmt180 -68.59 -58.05 4.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.794 0.438 . . . . 0.0 109.925 174.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -126.5 158.29 36.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.659 0.783 . . . . 0.0 109.765 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.3 11.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.867 0.467 . . . . 0.0 111.204 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.99 35.81 92.47 Favored Glycine 0 C--N 1.353 1.505 0 O-C-N 123.934 0.771 . . . . 0.0 112.771 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.74 -167.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.688 1.195 . . . . 0.0 109.649 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.3 173.96 6.24 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.878 0.471 . . . . 0.0 110.668 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.33 -27.8 71.29 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 115.71 -0.677 . . . . 0.0 114.63 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.57 -46.13 84.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -60.02 -40.76 90.4 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.002 0.814 . . . . 0.0 111.052 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 49' ' ' LEU . 47.2 mm -60.1 -56.91 14.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.838 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.68 69.47 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.296 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.85 80.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.5 0.72 . . . . 0.0 111.283 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.461 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.42 -39.46 24.9 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 121.872 0.069 . . . . 0.0 110.942 176.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.08 -28.33 64.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.991 0.517 . . . . 0.0 110.281 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.99 -43.28 88.26 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.624 1.57 . . . . 0.0 111.035 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -71.29 -47.67 55.48 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.051 0.54 . . . . 0.0 109.95 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.47 -37.95 80.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.028 0.931 . . . . 0.0 111.603 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -63.92 -35.67 81.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.226 0.329 . . . . 0.0 111.191 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -61.55 -48.96 78.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.408 0.683 . . . . 0.0 110.244 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -75.66 -46.14 33.07 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.532 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -146.73 93.04 2.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.701 0.8 . . . . 0.0 110.57 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -74.77 -1.37 21.75 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.128 0.971 . . . . 0.0 112.016 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.14 -1.96 16.88 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.265 0.626 . . . . 0.0 112.37 177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.64 149.33 49.26 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.323 0.582 . . . . 0.0 110.565 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.425 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 12.4 m95 -101.92 159.28 15.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -130.28 126.13 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.22 123.8 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 13.9 pt-20 -87.48 111.82 21.57 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.4 pt -105.68 128.71 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 3.4 tm-20 -110.43 103.39 12.01 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -159.38 162.43 35.83 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.378 0.671 . . . . 0.0 110.149 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -83.91 -46.01 12.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.163 0.985 . . . . 0.0 109.942 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.86 155.7 18.41 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.419 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -123.51 -37.43 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.1 0.56 . . . . 0.0 111.424 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.36 -34.59 89.78 Favored Glycine 0 C--N 1.35 1.348 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -166.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -72.67 -32.98 66.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.437 0.695 . . . . 0.0 111.731 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -111.22 -0.94 16.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.403 0.681 . . . . 0.0 112.618 -168.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 106' ' ' ILE . 56.7 tp -171.87 117.21 0.39 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 109.213 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.8 m -89.64 137.9 31.94 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.433 0.693 . . . . 0.0 110.666 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.19 148.65 52.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.75 1.22 . . . . 0.0 110.53 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.4 -30.19 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.134 0.974 . . . . 0.0 109.891 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.86 -57.7 4.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.077 0.951 . . . . 0.0 110.028 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 CA--C 1.548 0.866 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.364 179.85 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.6 mtt180 . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.52 -179.44 7.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.982 0.913 . . . . 0.0 111.09 -177.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 50.7 mtmt -66.78 163.75 18.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.775 0.43 . . . . 0.0 110.984 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -64.35 -40.88 96.73 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.386 1.075 . . . . 0.0 110.233 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.24 -50.58 72.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.441 1.096 . . . . 0.0 110.49 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.452 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.8 tpt -67.8 -26.51 66.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.426 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.57 -47.73 74.79 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.392 0.677 . . . . 0.0 109.643 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.34 -53.48 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 124.127 0.892 . . . . 0.0 111.043 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -58.75 -41.65 87.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.886 -176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.17 -41.46 81.48 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.485 0.49 . . . . 0.0 110.952 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.41 -43.09 97.05 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.336 1.054 . . . . 0.0 110.387 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -58.84 -45.72 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.159 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 2.1 mpt_? -72.66 -23.76 60.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.759 0.423 . . . . 0.0 111.551 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.3 mtp180 -65.58 -44.95 85.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.804 0.442 . . . . 0.0 110.635 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 109' ' ' LEU . 3.9 m -72.97 -35.08 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -70.97 -29.01 64.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.003 0.521 . . . . 0.0 110.551 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.36 83.45 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.937 0.495 . . . . 0.0 110.572 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.01 -25.51 59.93 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.656 0.782 . . . . 0.0 111.419 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.42 -3.14 29.48 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 123.344 0.497 . . . . 0.0 113.382 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.11 -150.6 4.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.381 0.515 . . . . 0.0 114.384 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.0 t80 -140.6 156.63 46.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.353 1.061 . . . . 0.0 109.741 -174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.56 159.26 30.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.631 0.772 . . . . 0.0 110.869 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 121.6 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.315 1.01 . . . . 0.0 110.016 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.37 107.94 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.337 0.589 . . . . 0.0 110.59 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -81.01 -64.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.141 0.976 . . . . 0.0 111.349 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -91.88 146.78 23.48 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.81 0.444 . . . . 0.0 109.85 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -134.59 130.97 37.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.882 0.873 . . . . 0.0 110.215 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.32 -128.51 2.84 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 123.314 0.384 . . . . 0.0 112.879 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.81 140.47 34.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.281 0.632 . . . . 0.0 111.662 -172.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 32.5 mt-10 -75.6 -53.51 8.48 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.34 -35.76 12.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.65 1.7 21.45 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.21 147.93 46.72 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -169.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.56 156.28 32.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 167.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 5' ' ' SER . 29.9 mm -137.77 117.26 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 56.9 m-85 -118.71 111.87 19.05 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.531 0.682 . . . . 0.0 109.629 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.79 131.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.217 1.007 . . . . 0.0 108.962 -172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.515 HH21 ' HG2' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -113.5 115.06 27.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.129 0.572 . . . . 0.0 109.801 -179.225 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 41.0 tt0 -95.29 119.71 34.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.096 0.559 . . . . 0.0 111.226 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -86.43 118.61 25.97 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.445 0.698 . . . . 0.0 110.106 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.7 mm? -73.53 149.7 42.04 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 168.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.86 -12.27 60.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.553 0.741 . . . . 0.0 111.264 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.21 -20.4 63.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 27.68 8.02 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.071 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HB2' HD23 ' A' ' 42' ' ' LEU . 19.7 mmt180 -121.32 174.33 6.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.364 1.066 . . . . 0.0 110.031 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' HH21 ' A' ' 39' ' ' ARG . 17.0 mp0 -132.66 164.81 25.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.088 0.955 . . . . 0.0 110.347 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 28.5 m-80 -130.41 173.35 10.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.166 1.386 . . . . 0.0 107.574 172.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -147.17 141.09 25.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.425 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.2 m-85 -131.23 152.81 50.14 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.445 1.098 . . . . 0.0 108.769 -176.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.43 162.51 29.3 Favored Glycine 0 C--N 1.335 0.483 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.768 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.58 124.22 13.35 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 111.384 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 123.211 0.604 . . . . 0.0 110.351 179.616 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.326 0.584 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -63.21 97.81 0.13 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.107 165.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -79.88 150.58 30.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.607 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.5 m-85 -101.49 173.41 6.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.228 0.537 . . . . 0.0 111.621 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -138.14 169.45 17.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 108.568 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.459 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 26.1 m -100.47 113.14 25.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 mmt180 -70.87 -59.53 2.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.447 0.699 . . . . 0.0 109.838 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 mt -126.62 160.48 30.56 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.989 0.915 . . . . 0.0 109.359 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.37 134.94 11.6 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.263 0.483 . . . . 0.0 111.648 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.18 26.67 66.25 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.811 0.694 . . . . 0.0 113.775 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.38 -169.47 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.073 0.949 . . . . 0.0 110.111 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.3 pt-20 -103.58 161.49 13.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.353 0.661 . . . . 0.0 110.52 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -21.92 63.64 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 115.723 -0.672 . . . . 0.0 114.232 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.99 -38.57 79.37 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.007 0.523 . . . . 0.0 110.466 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 38.3 mm-40 -67.62 -35.52 79.09 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.04 0.536 . . . . 0.0 110.858 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.7 mm -61.7 -55.88 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.492 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.36 70.42 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.973 0.509 . . . . 0.0 111.622 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.01 81.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.528 0.731 . . . . 0.0 111.856 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 49' ' ' LEU . 1.4 tp -82.7 -43.57 16.71 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.9 -34.86 63.53 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.368 0.667 . . . . 0.0 111.504 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.53 -33.52 75.22 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.762 0.664 . . . . 0.0 110.684 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -73.77 -53.77 9.54 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.332 0.653 . . . . 0.0 109.584 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.38 -33.86 76.45 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.599 -175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' A' ' 96' ' ' LEU . 46.3 ptt85 -72.22 -29.95 64.45 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 123.542 0.526 . . . . 0.0 111.799 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -63.02 -42.34 99.77 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.797 0.439 . . . . 0.0 110.359 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -82.7 -42.21 18.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.612 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 96' ' ' LEU . 19.2 m-20 -137.78 88.39 2.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.785 0.834 . . . . 0.0 109.439 -176.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -72.62 -11.61 60.71 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.718 0.807 . . . . 0.0 112.166 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.1 10.85 3.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.367 1.067 . . . . 0.0 112.302 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -72.87 145.21 47.06 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.942 0.401 . . . . 0.0 110.402 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -104.07 125.78 50.68 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 84.0 t -101.18 114.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.96 113.69 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -90.41 108.09 19.56 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.413 0.625 . . . . 0.0 109.882 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 40' ' ' GLN . 48.1 pt -104.76 135.92 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 34.4 tt0 -106.4 117.94 35.35 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.4 t -169.4 164.09 10.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.055 0.942 . . . . 0.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.32 -38.16 10.65 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.886 0.875 . . . . 0.0 109.971 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -101.72 136.54 41.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.588 1.155 . . . . 0.0 109.705 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -106.17 -36.79 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 122.545 0.338 . . . . 0.0 111.468 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.8 -31.05 76.81 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 123.442 0.464 . . . . 0.0 114.035 -168.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -78.07 -21.15 51.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.119 0.568 . . . . 0.0 112.529 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.558 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -128.05 4.03 5.88 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.374 0.67 . . . . 0.0 112.545 -169.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 106' ' ' ILE . 52.5 tp -167.33 132.21 1.97 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.199 0.999 . . . . 0.0 109.042 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -89.93 133.79 34.58 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.71 0.804 . . . . 0.0 110.644 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.438 HD11 HG12 ' A' ' 106' ' ' ILE . 20.7 mt -134.31 155.06 50.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.003 0.921 . . . . 0.0 110.23 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.05 -17.16 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.359 1.063 . . . . 0.0 110.018 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -86.58 -63.94 1.23 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.72 0.808 . . . . 0.0 111.094 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.459 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 31.0 mm-40 . . . . . 0 N--CA 1.481 1.107 0 C-N-CA 122.789 0.436 . . . . 0.0 111.239 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.545 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -158.65 -174.56 4.84 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.07 0.948 . . . . 0.0 109.829 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mttt -67.07 161.52 24.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.144 0.577 . . . . 0.0 111.735 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 36' ' ' ILE . 4.6 m -56.47 -45.65 80.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 109.797 164.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -57.12 -46.48 82.6 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 126.169 1.787 . . . . 0.0 112.316 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.545 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.2 tpt -77.04 -26.83 54.1 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -72.65 -47.53 46.83 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.84 -39.58 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 123.703 0.627 . . . . 0.0 110.692 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -63.66 -51.11 66.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.705 0.628 . . . . 0.0 109.69 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.27 -34.61 73.98 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.677 0.791 . . . . 0.0 111.93 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.13 -40.89 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.74 1.216 . . . . 0.0 109.898 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 16' ' ' VAL . 96.6 mt -60.59 -44.56 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.076 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -73.08 -24.49 60.67 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 122.155 -0.34 . . . . 0.0 110.786 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 27.1 mtp180 -62.03 -45.7 92.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.714 0.406 . . . . 0.0 110.314 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 109' ' ' LEU . 4.2 m -73.36 -38.12 52.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -176.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -68.33 -28.61 67.3 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.938 0.495 . . . . 0.0 110.78 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.13 63.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.168 0.587 . . . . 0.0 111.38 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 -21.06 18.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.573 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.38 2.8 31.15 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-O 119.968 -0.351 . . . . 0.0 113.818 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 -174.4 47.31 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.397 0.522 . . . . 0.0 113.603 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -117.29 156.75 27.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.704 1.202 . . . . 0.0 109.823 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -161.81 157.41 24.08 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.413 0.685 . . . . 0.0 111.788 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.38 132.64 2.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.748 0.819 . . . . 0.0 110.829 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 13' ' ' ILE . 52.9 t -75.35 101.77 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.482 0.713 . . . . 0.0 110.454 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -74.21 -59.05 2.9 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.74 0.816 . . . . 0.0 110.896 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -109.59 147.81 32.37 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.382 0.673 . . . . 0.0 110.066 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.58 122.94 21.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.027 0.931 . . . . 0.0 110.771 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.4 -134.7 6.06 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.575 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 130.97 42.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.469 0.708 . . . . 0.0 110.435 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 46.6 mt-10 -56.96 -50.91 71.21 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.76 -48.66 5.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.09 2.93 35.4 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 144.98 44.97 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 123.363 0.414 . . . . 0.0 114.022 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.47 157.47 35.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.373 0.669 . . . . 0.0 110.19 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 5' ' ' SER . 9.4 mm -127.39 137.98 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 59.2 m-85 -133.57 112.96 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.379 1.071 . . . . 0.0 108.977 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.85 129.79 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.9 0.88 . . . . 0.0 109.316 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -106.71 126.45 52.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.513 ' OE1' ' HB ' ' A' ' 106' ' ' ILE . 37.6 tt0 -98.59 115.07 27.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.553 0.341 . . . . 0.0 110.204 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -88.8 113.82 24.76 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.79 157.58 34.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.233 1.013 . . . . 0.0 110.945 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -14.85 62.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.346 0.659 . . . . 0.0 111.846 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.14 -16.83 64.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 0.0 111.705 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 31.99 25.74 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -124.67 170.75 10.67 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 109.253 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -135.69 158.65 43.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.066 0.946 . . . . 0.0 110.184 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 26.6 m-80 -113.82 174.72 5.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.996 1.319 . . . . 0.0 108.238 169.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 82' ' ' ILE . 13.7 tp -142.85 137.36 29.54 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 170.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 50.8 m-85 -132.13 117.19 17.97 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.72 179.55 21.32 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.407 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 5.1 Cg_exo -72.69 111.1 3.16 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.441 2.094 . . . . 0.0 109.314 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.776 0 O-C-N 124.059 0.849 . . . . 0.0 112.062 -177.39 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 CA--C 1.542 0.636 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -84.75 123.0 29.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.371 0.669 . . . . 0.0 110.275 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.94 153.35 18.26 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.413 ' HB2' HD23 ' A' ' 112' ' ' LEU . 4.0 m-85 -100.31 173.79 6.43 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.618 0.367 . . . . 0.0 110.944 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 16.1 pt-20 -135.68 149.62 49.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.478 1.111 . . . . 0.0 108.444 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -83.07 101.32 11.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -76.24 -48.76 19.15 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.787 0.835 . . . . 0.0 109.687 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -134.53 156.7 48.18 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.625 1.17 . . . . 0.0 108.812 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.91 127.67 7.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.175 0.59 . . . . 0.0 110.657 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.46 26.25 71.74 Favored Glycine 0 C--N 1.352 1.446 0 O-C-N 123.887 0.742 . . . . 0.0 113.897 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.04 -167.56 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.174 0.989 . . . . 0.0 109.448 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 1.8 pm0 -105.8 160.45 15.23 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.277 0.631 . . . . 0.0 110.456 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.13 -16.54 60.12 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.939 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.19 -41.75 89.8 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.793 0.837 . . . . 0.0 110.452 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 35.8 mm-40 -71.17 -37.39 72.17 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.552 0.741 . . . . 0.0 111.16 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 49' ' ' LEU . 37.3 mm -61.1 -53.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.32 72.47 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.059 0.944 . . . . 0.0 111.856 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.62 88.63 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.871 0.732 . . . . 0.0 111.529 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.61 -44.25 17.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 123.16 0.287 . . . . 0.0 111.23 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.0 mt -53.45 -33.67 55.03 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.125 0.57 . . . . 0.0 111.654 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.38 -32.53 64.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.793 0.683 . . . . 0.0 110.585 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.31 -48.33 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.428 0.632 . . . . 0.0 109.516 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.22 -51.39 63.92 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.65 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ptt85 -59.0 -29.78 67.49 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.85 -45.17 93.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.785 0.834 . . . . 0.0 111.025 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -87.82 -44.0 11.43 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.097 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.75 102.25 6.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.934 1.294 . . . . 0.0 109.242 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.8 t -70.73 -17.42 62.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.405 1.082 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -76.31 0.05 20.76 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.42 159.39 29.47 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.724 0.773 . . . . 0.0 112.019 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.85 148.18 42.36 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.439 1.495 . . . . 0.0 108.281 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 90.9 t -122.94 126.52 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.17 117.0 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.1 pt-20 -87.98 112.21 22.34 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 23' ' ' ALA . 31.8 pt -102.8 159.84 4.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -138.86 118.38 12.94 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.5 t -172.4 165.55 5.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.972 0.909 . . . . 0.0 108.921 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.27 -31.22 17.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.483 0.713 . . . . 0.0 110.786 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -123.93 133.94 53.62 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.718 0.807 . . . . 0.0 110.68 -174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.513 ' HB ' ' OE1' ' A' ' 40' ' ' GLN . 9.8 tp -95.04 -34.53 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.723 0.809 . . . . 0.0 111.075 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.93 -21.2 63.19 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 -164.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -86.01 -34.74 20.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 117.124 0.462 . . . . 0.0 111.448 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.532 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -112.47 3.21 16.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.607 0.763 . . . . 0.0 112.801 -167.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 tp -168.04 146.48 4.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.9 0.88 . . . . 0.0 109.305 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.4 m -103.59 134.38 47.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.098 0.559 . . . . 0.0 111.341 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLN . 33.8 mt -121.69 157.65 30.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.022 0.929 . . . . 0.0 110.104 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.0 m -91.8 -12.71 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.74 0.816 . . . . 0.0 110.004 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -95.64 -76.55 0.5 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.221 0.608 . . . . 0.0 110.656 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.531 ' HB2' HD12 ' A' ' 112' ' ' LEU . 27.6 mm-40 . . . . . 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 0.0 111.713 -177.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 81.3 mtm180 . . . . . 0 CA--C 1.542 0.671 0 CA-C-O 121.565 0.698 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -146.62 173.51 12.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.787 1.235 . . . . 0.0 109.594 -175.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.5 ptpp? -80.08 173.07 12.97 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.384 0.428 . . . . 0.0 110.38 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.612 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.7 m -58.18 -45.22 87.89 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.095 0.958 . . . . 0.0 111.756 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.59 -50.09 75.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.91 1.284 . . . . 0.0 111.235 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.416 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.8 tpt -74.18 -23.86 59.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.83 -174.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.08 -46.05 79.07 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.4 -40.75 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.584 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 26.0 t -58.48 -41.25 84.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.165 0.586 . . . . 0.0 110.124 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.66 -35.38 67.71 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.914 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.181 0.992 . . . . 0.0 111.091 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.72 -46.46 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 10' ' ' SER . 3.7 mpt_? -69.84 -29.6 66.9 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.269 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 77.4 mtt180 -61.5 -48.36 81.41 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.176 0.59 . . . . 0.0 110.558 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 109' ' ' LEU . 4.3 m -73.06 -37.37 53.06 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.075 -174.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -68.17 -30.09 69.12 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.72 0.408 . . . . 0.0 110.695 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.49 76.02 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.924 0.49 . . . . 0.0 110.277 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.17 53.35 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.085 0.954 . . . . 0.0 112.1 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.72 -8.74 47.19 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.9 -0.389 . . . . 0.0 113.677 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.49 -173.04 41.82 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 123.523 0.19 . . . . 0.0 113.322 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 88.9 t80 -119.81 157.43 28.67 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.445 1.098 . . . . 0.0 108.921 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.33 158.4 35.93 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.089 0.555 . . . . 0.0 111.066 173.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.27 134.2 2.83 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.304 1.003 . . . . 0.0 109.829 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -78.95 98.93 2.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.996 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -70.22 -59.45 2.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.38 0.672 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -111.75 145.82 38.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.549 0.74 . . . . 0.0 109.55 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -119.91 139.21 52.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.498 1.119 . . . . 0.0 108.912 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.29 -137.31 4.26 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-O 119.811 -0.439 . . . . 0.0 112.056 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.87 129.54 37.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.303 0.641 . . . . 0.0 110.074 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.96 -41.02 52.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.872 0.469 . . . . 0.0 111.972 -169.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -84.23 -50.39 7.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.789 0.436 . . . . 0.0 111.86 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.49 14.45 13.66 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.46 150.76 43.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 113.831 0.292 . . . . 0.0 113.831 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.23 157.65 37.32 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 171.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -136.74 106.31 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 68.3 m-85 -109.07 112.42 24.59 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 109.559 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -107.35 126.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 124.704 1.201 . . . . 0.0 108.728 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 4.2 ptm180 -107.83 108.23 19.33 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.984 0.914 . . . . 0.0 108.732 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.0 tt0 -82.85 110.03 17.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.493 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 42.2 ttm180 -76.72 102.65 6.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.372 0.669 . . . . 0.0 109.469 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.447 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.7 mm? -66.06 144.71 56.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.471 0.709 . . . . 0.0 109.761 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.8 -17.24 64.49 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.122 0.569 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.17 -13.61 60.47 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.632 0.773 . . . . 0.0 111.727 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.17 14.14 46.4 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -101.32 179.52 4.34 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.524 0.729 . . . . 0.0 109.158 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 26.3 mt-10 -146.08 144.33 29.96 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.433 0.635 . . . . 0.0 110.971 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -112.88 161.39 17.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.58 1.152 . . . . 0.0 107.893 169.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -129.41 141.67 50.99 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 175.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 73.2 m-85 -131.24 146.68 52.41 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.79 1.236 . . . . 0.0 108.76 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.77 165.22 27.29 Favored Glycine 0 N--CA 1.464 0.526 0 CA-C-O 119.288 -0.729 . . . . 0.0 111.651 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 108.82 2.1 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.574 2.183 . . . . 0.0 111.222 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 C-N-CA 123.583 0.753 . . . . 0.0 110.961 179.642 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.24 121.49 16.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 109.919 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -72.46 167.29 20.89 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.327 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 173.9 6.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.163 0.585 . . . . 0.0 110.852 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.91 160.08 41.89 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 109.49 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.7 m -92.4 105.52 17.69 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.191 0.596 . . . . 0.0 109.525 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 30.1 mmm180 -74.85 -63.57 1.23 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.586 0.754 . . . . 0.0 109.853 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -114.11 160.2 19.19 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.43 0.692 . . . . 0.0 109.493 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.35 121.42 6.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.641 0.376 . . . . 0.0 111.386 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.505 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.95 26.61 72.19 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.548 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.36 -168.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.442 1.097 . . . . 0.0 110.182 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.6 170.59 7.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.16 0.584 . . . . 0.0 110.875 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -18.33 63.79 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.979 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.58 -42.06 74.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.637 0.775 . . . . 0.0 110.32 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.77 -36.9 73.28 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.621 0.769 . . . . 0.0 110.729 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.0 mm -61.37 -56.26 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.704 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.87 70.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 0.0 111.346 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -59.24 -44.71 92.34 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.883 0.739 . . . . 0.0 110.813 176.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.438 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.62 -41.26 32.06 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.235 0.335 . . . . 0.0 111.252 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.59 -33.82 64.28 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.176 0.59 . . . . 0.0 111.103 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.99 56.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.274 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 28.9 mtp180 -74.4 -39.36 62.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.807 0.443 . . . . 0.0 110.133 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -75.22 -38.8 60.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -65.6 -28.74 69.35 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.357 0.411 . . . . 0.0 111.4 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -60.25 -43.08 96.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.932 0.893 . . . . 0.0 111.034 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -82.4 -53.98 5.58 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.14 100.61 5.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.015 0.926 . . . . 0.0 109.666 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -74.31 -1.99 23.19 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.378 0.671 . . . . 0.0 110.442 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.9 4.49 5.25 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.442 1.497 . . . . 0.0 112.452 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -78.61 150.61 32.66 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 118.237 0.471 . . . . 0.0 110.417 176.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -105.82 126.07 51.73 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.67 118.21 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.73 117.42 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.9 pt-20 -86.96 122.86 31.4 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 173.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 23' ' ' ALA . 45.5 pt -118.8 120.85 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.81 101.73 13.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.1 t -157.23 157.91 35.17 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.527 0.679 . . . . 0.0 111.098 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.67 -29.03 40.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.817 1.247 . . . . 0.0 111.664 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.79 -175.67 3.8 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.573 0.749 . . . . 0.0 110.549 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tp -132.75 -23.06 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.667 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.78 -34.42 82.9 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -162.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -83.99 -17.09 41.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.945 0.498 . . . . 0.0 112.327 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD13 HG12 ' A' ' 16' ' ' VAL . 3.1 pp -127.31 4.71 6.32 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -166.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.8 tp -167.29 131.72 1.91 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.031 0.932 . . . . 0.0 109.127 172.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -92.11 130.99 37.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.466 0.706 . . . . 0.0 110.361 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.7 158.7 37.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.977 0.911 . . . . 0.0 110.481 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.15 -27.27 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.131 0.972 . . . . 0.0 109.753 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.69 -67.3 0.68 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 110.505 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 . . . . . 0 CA--C 1.547 0.85 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.822 179.667 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.415 0.626 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.401 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -89.64 170.64 10.29 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.502 -176.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 16.4 ptpt -78.63 178.77 7.57 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.394 0.678 . . . . 0.0 111.564 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -56.73 -53.85 52.97 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.383 1.073 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.08 -54.49 46.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.931 1.292 . . . . 0.0 111.084 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 3' ' ' LEU . 7.5 tpt -66.37 -27.56 67.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.751 -175.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.47 -48.81 66.08 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.74 -48.44 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 0.0 111.44 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 45.9 m -57.92 -41.84 83.54 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.525 0.73 . . . . 0.0 111.019 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.92 -33.88 66.23 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.666 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.5 -41.45 93.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.111 1.364 . . . . 0.0 110.771 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 84.0 mt -65.43 -35.57 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.235 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.7 mpt_? -74.47 -29.06 61.3 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.172 0.589 . . . . 0.0 111.386 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 50.1 mtt180 -61.87 -43.4 98.91 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.326 0.65 . . . . 0.0 111.305 177.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 4.5 m -72.33 -36.63 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.91 -176.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.76 -29.66 68.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.789 0.436 . . . . 0.0 110.063 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.1 77.37 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.554 0.534 . . . . 0.0 110.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -9.79 58.71 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.687 0.795 . . . . 0.0 111.854 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.02 -9.93 65.73 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.946 -0.363 . . . . 0.0 113.421 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.24 -176.99 50.52 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.584 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.5 t80 -112.82 153.83 27.23 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.832 0.853 . . . . 0.0 110.47 -173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.08 163.9 31.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 111.749 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 135.77 0.24 Allowed 'General case' 0 C--N 1.35 0.605 0 O-C-N 125.005 1.44 . . . . 0.0 108.81 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.89 119.77 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.187 0.518 . . . . 0.0 110.09 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -80.93 -66.08 0.93 Allowed 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.334 1.054 . . . . 0.0 110.503 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -99.64 142.86 30.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 110.648 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -120.53 132.72 55.31 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.318 1.047 . . . . 0.0 109.449 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.01 -134.02 4.2 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-O 119.917 -0.38 . . . . 0.0 112.54 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.66 132.84 35.31 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.381 0.672 . . . . 0.0 110.613 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -69.37 -41.23 76.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.605 0.762 . . . . 0.0 112.703 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -90.92 -55.67 3.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.099 0.56 . . . . 0.0 112.098 -173.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.36 20.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.775 0.83 . . . . 0.0 112.736 -168.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.67 150.81 49.92 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.001 0.188 . . . . 0.0 113.507 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 162.87 28.43 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 5' ' ' SER . 15.3 mm -137.76 105.08 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 96' ' ' LEU . 52.0 m-85 -107.67 113.35 26.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.408 0.623 . . . . 0.0 109.654 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.35 130.06 61.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 C-N-CA 124.2 1.0 . . . . 0.0 109.099 -172.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 7.1 ptp180 -106.0 128.23 53.69 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.74 120.04 41.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 109.884 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 29.3 ttp180 -80.88 113.86 19.38 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.464 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.4 mm? -76.94 155.54 32.67 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.504 0.722 . . . . 0.0 109.818 172.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -68.64 -17.98 64.2 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.023 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -64.42 -21.68 66.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 111.809 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.82 -15.37 44.75 Favored Glycine 0 C--N 1.343 0.947 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -83.74 178.54 7.89 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.913 0.885 . . . . 0.0 111.478 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 40.0 mt-10 -142.75 146.14 34.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.468 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -104.58 164.28 11.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.611 167.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -131.64 141.08 49.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 173.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 56.0 m-85 -127.19 153.38 46.14 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 124.422 1.089 . . . . 0.0 108.488 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.37 166.05 30.04 Favored Glycine 0 N--CA 1.459 0.206 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 112.53 3.06 Favored 'Trans proline' 0 C--N 1.364 1.369 0 C-N-CA 121.922 1.748 . . . . 0.0 110.531 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.042 176.327 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--O 1.242 0.685 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -66.84 123.45 20.2 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.974 0.796 . . . . 0.0 109.659 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -94.41 154.77 17.29 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -101.1 175.99 5.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.437 0.695 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -144.59 160.67 40.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.912 1.285 . . . . 0.0 108.781 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.1 m -93.96 100.9 12.97 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.51 -54.08 19.13 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.532 0.733 . . . . 0.0 110.523 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -121.23 155.86 33.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 0.0 109.374 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.38 123.92 12.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.563 0.345 . . . . 0.0 111.006 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.513 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 65.19 30.19 77.21 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.987 0.805 . . . . 0.0 114.008 172.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.55 159.08 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.881 0.873 . . . . 0.0 110.145 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 13.4 pt-20 -72.02 166.26 22.59 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.124 0.569 . . . . 0.0 111.288 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -20.95 65.81 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.237 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.403 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 15.8 tp10 -57.96 -48.63 79.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.064 0.945 . . . . 0.0 110.066 172.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.5 -34.76 72.71 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.651 0.78 . . . . 0.0 111.895 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.426 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.9 mm -65.06 -52.56 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 122.868 0.467 . . . . 0.0 110.003 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -29.36 69.86 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.358 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -61.59 -39.26 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.746 0.654 . . . . 0.0 111.09 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -80.94 -43.83 19.16 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 123.061 0.226 . . . . 0.0 111.512 176.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.53 -28.07 65.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.899 0.479 . . . . 0.0 111.319 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -36.07 64.9 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.654 0.596 . . . . 0.0 109.996 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 75.0 mtp180 -74.48 -35.82 63.27 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.223 0.609 . . . . 0.0 110.969 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -74.18 -44.86 51.82 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.243 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -65.06 -29.03 69.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.402 0.439 . . . . 0.0 111.614 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.31 -48.15 79.28 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.692 0.797 . . . . 0.0 110.488 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -86.16 -20.36 28.72 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.49 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -166.43 101.79 0.61 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.142 0.977 . . . . 0.0 108.575 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 t -77.31 -1.88 32.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.662 . . . . 0.0 111.656 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.03 14.8 11.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.094 0.558 . . . . 0.0 112.421 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 37' ' ' PHE . 2.6 pt? -77.12 151.61 35.3 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 166.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -105.94 124.26 49.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 86.1 t -98.21 116.12 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.83 119.47 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.7 pt-20 -87.22 107.9 18.69 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.72 157.63 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 169.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 1.5 tm-20 -142.48 107.57 4.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -171.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -172.35 164.52 5.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.729 0.812 . . . . 0.0 109.816 -172.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -92.63 -29.34 16.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.794 0.838 . . . . 0.0 111.029 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.15 148.91 39.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 110.203 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 112' ' ' LEU . 9.8 tp -114.58 -35.16 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.02 -29.49 74.51 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -80.44 -10.93 59.74 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.71 0.804 . . . . 0.0 112.477 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 16' ' ' VAL . 2.5 pp -138.19 -0.64 2.02 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -171.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 106' ' ' ILE . 56.5 tp -163.67 138.81 6.25 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.228 1.011 . . . . 0.0 108.989 174.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -99.94 132.36 45.34 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.645 0.778 . . . . 0.0 111.088 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.465 HD11 HG12 ' A' ' 106' ' ' ILE . 21.8 mt -130.18 147.98 51.97 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.854 0.862 . . . . 0.0 111.117 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 22.7 m -81.11 -26.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.199 1.0 . . . . 0.0 109.828 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -82.91 -67.14 0.81 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.984 0.914 . . . . 0.0 110.666 -171.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 CA--C 1.553 1.086 0 C-N-CA 122.87 0.468 . . . . 0.0 110.359 174.154 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.83 0.824 . . . . 0.0 109.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.43 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -140.57 178.31 7.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.976 -172.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.6 mtmm -80.39 168.34 19.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.047 0.539 . . . . 0.0 111.39 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' ILE . 15.8 m -60.59 -44.42 96.25 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.418 1.087 . . . . 0.0 111.694 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.39 -35.31 80.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpt -75.25 -28.45 59.86 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.523 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 3' ' ' LEU . 72.0 t80 -75.76 -48.29 22.4 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.722 0.409 . . . . 0.0 109.963 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -60.37 -43.64 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.644 0.59 . . . . 0.0 110.414 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 45.1 t -59.68 -47.45 85.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.921 0.763 . . . . 0.0 110.246 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.08 -34.98 79.71 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.838 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.65 -40.35 88.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 109.689 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.532 HD11 HG23 ' A' ' 25' ' ' VAL . 83.8 mt -63.23 -33.66 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.667 177.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' SER . 17.8 mmt180 -71.06 -34.13 70.93 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.066 -0.396 . . . . 0.0 110.161 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 92.6 mtt180 -64.68 -43.03 94.84 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.681 0.613 . . . . 0.0 110.624 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -73.27 -39.85 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.878 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.52 -32.45 71.3 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.25 77.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.03 0.532 . . . . 0.0 111.068 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.19 -24.84 54.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.684 0.793 . . . . 0.0 111.457 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.8 -8.48 23.7 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 123.287 0.47 . . . . 0.0 113.332 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.75 -166.3 35.03 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.349 0.5 . . . . 0.0 113.381 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -128.24 158.23 38.71 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.348 1.059 . . . . 0.0 108.949 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 160.0 38.53 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.637 0.775 . . . . 0.0 110.367 173.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.5 125.78 1.05 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.4 1.063 . . . . 0.0 109.292 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 13' ' ' ILE . 85.2 t -73.1 104.61 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.46 -66.38 0.56 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.958 0.503 . . . . 0.0 109.682 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 61.1 tttp -102.33 143.83 31.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.725 0.81 . . . . 0.0 110.438 -175.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -124.96 138.45 54.23 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.997 0.919 . . . . 0.0 109.622 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.6 -132.52 3.37 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.04 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.39 127.31 32.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.688 0.795 . . . . 0.0 111.386 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 52.0 mt-10 -63.67 -40.42 96.77 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.022 0.929 . . . . 0.0 112.683 -173.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.0 -50.73 4.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.57 0.748 . . . . 0.0 112.021 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.82 28.23 8.66 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 0.0 112.332 -168.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.58 140.05 19.29 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 116.686 -0.234 . . . . 0.0 112.631 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -67.58 152.92 44.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.5 mm -124.79 113.92 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.6 m-85 -114.38 112.65 23.38 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.977 0.911 . . . . 0.0 109.877 176.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.17 130.73 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 108.963 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.25 121.64 45.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.015 0.926 . . . . 0.0 108.917 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 3.8 tp60 -92.21 115.49 28.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.729 1.211 . . . . 0.0 110.396 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' A' ' 102' ' ' GLU . 28.1 ttm180 -89.54 100.32 13.15 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.406 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.0 mm? -69.69 145.93 51.96 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -62.96 -15.44 55.89 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.53 -24.68 67.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.059 0.944 . . . . 0.0 111.842 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.16 1.74 56.95 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -169.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -91.78 170.71 9.68 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.95 0.9 . . . . 0.0 109.053 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 35.1 mt-10 -143.15 145.88 33.22 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.224 0.61 . . . . 0.0 110.973 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.581 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -107.96 170.72 7.82 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.406 1.083 . . . . 0.0 108.333 167.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.9 141.25 34.58 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 42.4 m-85 -129.58 147.6 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.098 0.959 . . . . 0.0 108.902 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.54 166.83 25.73 Favored Glycine 0 N--CA 1.46 0.259 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.36 118.76 5.87 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 122.488 2.125 . . . . 0.0 110.796 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 0.825 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.058 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--O 1.241 0.657 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -75.61 143.03 42.52 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.994 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.27 161.13 18.15 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 4.1 m-85 -100.2 174.71 6.02 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.242 0.617 . . . . 0.0 110.599 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -138.05 167.53 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.244 1.417 . . . . 0.0 108.346 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -102.54 102.05 12.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 10.8 mmt180 -63.59 -59.71 4.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.569 0.748 . . . . 0.0 109.973 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.1 mt -122.1 155.38 35.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.744 0.817 . . . . 0.0 109.475 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.94 121.41 9.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.561 0.345 . . . . 0.0 111.356 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.478 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 69.05 31.54 72.39 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 123.907 0.754 . . . . 0.0 113.503 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.01 -177.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.495 1.118 . . . . 0.0 109.795 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.0 pt-20 -93.94 167.34 11.67 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.605 0.362 . . . . 0.0 110.097 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -23.64 65.95 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 114.601 0.6 . . . . 0.0 114.601 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.25 -42.54 72.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.858 0.463 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 15.8 mm-40 -61.15 -38.03 84.98 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.982 0.513 . . . . 0.0 110.212 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.537 ' HA ' HD12 ' A' ' 49' ' ' LEU . 50.5 mm -60.38 -57.07 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.275 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -26.99 68.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.653 0.781 . . . . 0.0 111.719 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.42 71.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.651 0.781 . . . . 0.0 111.303 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tt -81.29 -36.48 29.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.086 0.154 . . . . 0.0 110.771 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 95.3 mt -60.11 -27.05 66.71 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.99 0.516 . . . . 0.0 109.964 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.82 -44.9 72.53 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.221 1.409 . . . . 0.0 110.29 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -66.48 -47.52 72.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.682 0.393 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.14 -37.59 78.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.576 0.751 . . . . 0.0 112.102 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -66.01 -28.59 68.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.305 0.378 . . . . 0.0 110.975 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -60.44 -35.18 75.21 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -94.0 -51.6 4.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.857 0.863 . . . . 0.0 110.279 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -120.47 94.03 4.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.909 1.283 . . . . 0.0 109.834 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.3 t -66.81 -15.7 63.77 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 121.231 0.539 . . . . 0.0 109.72 166.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.37 -6.55 36.26 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.074 1.35 . . . . 0.0 112.821 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -73.14 154.93 40.14 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.129 0.49 . . . . 0.0 111.317 -175.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -116.98 126.89 53.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.283 1.433 . . . . 0.0 108.297 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 57.8 t -100.45 118.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 173.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 25' ' ' VAL . 18.3 t -111.98 118.92 58.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.44 127.84 34.53 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 171.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.5 pt -120.28 150.45 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.559 ' HG2' ' HD2' ' A' ' 41' ' ' ARG . 1.3 tm-20 -127.73 103.95 7.58 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.094 -1.446 . . . . 0.0 107.094 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 2.0 t -167.58 159.77 12.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.532 1.133 . . . . 0.0 108.871 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.19 -21.66 29.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.172 0.589 . . . . 0.0 110.8 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.82 142.32 48.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.561 0.744 . . . . 0.0 110.477 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.6 tp -101.9 -29.77 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.718 0.807 . . . . 0.0 110.827 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.0 31.36 2.29 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 115.012 0.765 . . . . 0.0 115.012 -170.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -137.47 -4.46 1.85 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.723 0.809 . . . . 0.0 110.147 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.567 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -143.92 1.74 1.15 Allowed 'General case' 0 C--N 1.363 1.168 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -162.86 142.39 9.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.016 0.927 . . . . 0.0 109.197 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 m -104.82 134.49 47.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.22 1.008 . . . . 0.0 110.746 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.17 156.73 44.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.365 1.066 . . . . 0.0 110.502 -173.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.0 -31.3 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.367 1.067 . . . . 0.0 109.951 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.8 -52.25 11.91 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 123.637 0.775 . . . . 0.0 110.193 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.549 0.926 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.539 173.605 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.0 0.429 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.77 168.24 11.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -174.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.3 ptpp? -72.08 171.92 11.05 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.428 ' HG ' HH12 ' A' ' 68' ' ' ARG . 7.1 m -54.65 -49.13 71.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.292 0.637 . . . . 0.0 112.059 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.03 -55.37 35.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.528 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 tpt -72.39 -24.07 61.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.69 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -71.25 -46.03 61.92 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.68 -47.46 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.889 0.743 . . . . 0.0 109.947 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t -59.34 -37.84 78.87 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.32 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.36 -36.76 63.6 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.319 0.648 . . . . 0.0 111.229 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.91 -38.51 86.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.888 1.275 . . . . 0.0 110.969 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.9 mt -65.54 -35.57 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.586 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -71.81 -32.66 67.82 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.509 0.324 . . . . 0.0 110.529 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 93.8 mtt180 -63.58 -42.95 98.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.367 0.667 . . . . 0.0 110.659 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.7 m -73.63 -43.54 54.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.05 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.93 -35.81 82.37 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.858 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.47 63.14 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.205 0.602 . . . . 0.0 111.634 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.24 -14.61 40.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.455 0.702 . . . . 0.0 111.73 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.04 25.09 7.66 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 122.772 0.225 . . . . 0.0 112.933 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.34 -179.27 16.32 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.798 0.713 . . . . 0.0 112.735 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 87.4 t80 -113.22 158.99 19.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.082 0.953 . . . . 0.0 109.54 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.48 158.39 26.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.194 0.598 . . . . 0.0 111.819 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.91 142.65 2.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.579 1.152 . . . . 0.0 109.28 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -90.94 107.3 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.69 -62.82 1.36 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.408 0.683 . . . . 0.0 111.093 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -109.19 148.15 31.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.003 0.521 . . . . 0.0 110.242 -175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.83 141.35 51.84 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.588 1.155 . . . . 0.0 109.499 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.99 -137.11 4.04 Favored Glycine 0 C--O 1.24 0.524 0 O-C-N 123.525 0.516 . . . . 0.0 111.874 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 127.5 32.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.079 0.551 . . . . 0.0 109.677 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.75 -29.84 62.46 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 123.1 0.56 . . . . 0.0 112.129 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.04 -58.22 2.64 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.128 0.571 . . . . 0.0 111.88 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.02 13.55 14.85 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -169.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.24 148.49 50.86 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 113.572 0.189 . . . . 0.0 113.572 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 162.08 29.93 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mm -135.77 107.45 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.9 m-85 -108.14 112.92 25.68 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.65 136.76 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.7 ptp180 -108.9 117.65 34.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.504 0.722 . . . . 0.0 109.088 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' HG13 ' A' ' 101' ' ' ILE . 41.0 tt0 -87.17 129.81 34.79 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 54.2 ttp180 -104.49 145.13 30.72 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.748 0.419 . . . . 0.0 110.542 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.69 146.96 42.4 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.51 1.124 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HD3' ' H ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -60.48 -21.2 62.12 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.469 1.107 . . . . 0.0 111.583 169.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.65 -15.94 63.68 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.358 1.063 . . . . 0.0 111.48 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.32 -6.33 57.8 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.937 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -92.53 171.58 8.93 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.346 0.658 . . . . 0.0 111.31 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.503 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 31.5 mt-10 -149.32 164.62 34.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.785 1.234 . . . . 0.0 110.279 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.8 m-80 -128.52 157.65 40.59 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.955 1.302 . . . . 0.0 107.701 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.626 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -126.59 140.25 52.57 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -128.72 162.04 28.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 108.863 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.83 170.47 33.66 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-O 118.753 -1.026 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.65 117.32 4.52 Favored 'Trans proline' 0 C--N 1.364 1.376 0 CA-C-N 119.932 1.866 . . . . 0.0 110.581 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.913 0 C-N-CA 123.356 0.662 . . . . 0.0 110.918 177.621 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.24 0.568 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.428 HH12 ' HG ' ' A' ' 5' ' ' SER . 10.1 ptp180 -59.6 132.06 52.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.151 0.98 . . . . 0.0 110.393 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -101.96 148.9 24.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.403 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.8 m-85 -100.44 168.66 9.6 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.213 0.605 . . . . 0.0 110.983 -171.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.15 167.51 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.438 1.495 . . . . 0.0 107.812 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.5 m -103.87 104.47 14.47 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 15.3 mmt180 -66.17 -59.4 3.8 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.785 0.834 . . . . 0.0 110.008 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.27 159.88 30.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.237 1.015 . . . . 0.0 109.253 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.67 133.12 11.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.01 29.54 72.92 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 123.732 0.645 . . . . 0.0 113.752 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -178.34 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.621 1.169 . . . . 0.0 109.331 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.14 167.07 12.62 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.774 -0.579 . . . . 0.0 110.131 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.63 70.89 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.822 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -57.78 -46.27 84.82 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.741 0.816 . . . . 0.0 110.467 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.643 0.777 . . . . 0.0 111.124 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.626 HG23 ' HG ' ' A' ' 49' ' ' LEU . 39.8 mm -62.88 -56.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.94 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -23.68 64.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.579 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.88 87.35 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.562 0.745 . . . . 0.0 111.247 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tp -81.28 -39.91 24.52 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.188 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 49' ' ' LEU . 96.4 mt -57.89 -28.31 64.09 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.015 0.526 . . . . 0.0 111.462 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 90' ' ' ARG . 14.5 tp10 -61.46 -45.83 92.62 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.743 1.617 . . . . 0.0 110.951 169.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 73.6 mtp180 -73.81 -50.8 18.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.002 0.921 . . . . 0.0 111.334 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.47 -37.76 88.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.752 1.221 . . . . 0.0 112.09 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 87' ' ' GLU . 11.4 ptt-85 -65.19 -28.91 69.72 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.704 0.627 . . . . 0.0 111.533 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 69.3 ttt180 -66.19 -44.48 83.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.984 0.514 . . . . 0.0 110.621 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.43 -38.93 74.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.713 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -161.09 102.96 1.27 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.909 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 t -77.47 -3.35 40.02 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.261 1.025 . . . . 0.0 112.665 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -83.43 17.96 1.98 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.05 150.36 30.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.06 0.457 . . . . 0.0 110.243 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -107.32 125.39 51.12 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.02 117.18 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.19 118.33 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.597 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 7.1 pt-20 -85.68 105.31 16.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 172.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 40' ' ' GLN . 32.9 pt -108.14 150.1 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 33.5 tt0 -124.16 121.46 35.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 109' ' ' LEU . 8.9 t -169.93 166.41 9.39 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -102.28 -39.4 7.23 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.97 114.5 27.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.225 0.61 . . . . 0.0 109.907 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.489 HG12 HD11 ' A' ' 112' ' ' LEU . 10.1 tp -91.22 -37.21 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.169 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.77 -15.62 64.73 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -170.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.1 t -86.67 -25.02 25.04 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.779 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -122.84 -12.03 8.08 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.4 tp -153.4 130.28 10.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.017 0.927 . . . . 0.0 108.632 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 m -90.61 132.38 35.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.685 0.394 . . . . 0.0 111.303 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.489 HD11 HG12 ' A' ' 106' ' ' ILE . 28.8 mt -126.83 143.56 51.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.938 0.895 . . . . 0.0 110.647 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.71 -23.33 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.281 1.032 . . . . 0.0 110.227 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.28 -59.61 1.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.333 0.653 . . . . 0.0 111.439 -171.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 N--CA 1.485 1.315 0 C-N-CA 123.653 0.781 . . . . 0.0 111.417 179.749 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.558 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -151.02 174.65 12.91 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.8 0.84 . . . . 0.0 111.067 -176.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.9 ptpp? -75.71 171.77 13.77 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.846 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.683 ' HB3' HD11 ' A' ' 36' ' ' ILE . 16.2 m -62.55 -44.5 96.18 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.371 1.068 . . . . 0.0 111.705 -175.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.54 -49.39 77.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.562 1.145 . . . . 0.0 111.351 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.558 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.8 tpt -71.7 -23.84 61.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.457 -174.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -72.12 -44.22 63.52 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' SER . 97.9 t -61.55 -49.51 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.774 0.671 . . . . 0.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.1 t -53.15 -49.95 65.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.094 0.871 . . . . 0.0 110.221 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -61.27 -37.22 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.12 -40.59 90.8 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.988 0.915 . . . . 0.0 110.44 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.7 mp -56.34 -47.19 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.3 mpt_? -65.22 -34.28 77.99 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.147 0.579 . . . . 0.0 110.834 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 52.6 mtt180 -61.23 -45.3 95.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.545 0.738 . . . . 0.0 111.211 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -73.02 -36.22 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -69.6 -28.57 66.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.968 0.507 . . . . 0.0 110.905 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.81 69.37 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.218 0.607 . . . . 0.0 110.619 172.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.02 31.05 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.715 0.806 . . . . 0.0 111.156 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.03 -17.39 9.94 Favored Glycine 0 C--N 1.35 1.314 0 C-N-CA 123.359 0.504 . . . . 0.0 113.372 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.07 -175.49 42.36 Favored Glycine 0 C--N 1.348 1.249 0 C-N-CA 123.603 0.621 . . . . 0.0 113.93 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -118.32 154.54 32.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.144 0.978 . . . . 0.0 109.093 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -157.96 164.73 36.54 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.495 0.718 . . . . 0.0 110.866 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 143.38 1.89 Allowed 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.038 0.836 . . . . 0.0 110.324 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.13 105.82 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 122.938 0.495 . . . . 0.0 109.862 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -76.56 -65.43 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.398 0.679 . . . . 0.0 111.085 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 63.8 tttp -102.28 145.93 28.74 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.363 0.665 . . . . 0.0 109.24 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -132.24 126.77 34.26 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.835 0.854 . . . . 0.0 109.705 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.05 -131.42 3.64 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.466 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.87 130.39 35.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.404 0.681 . . . . 0.0 110.62 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.32 -40.96 70.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.089 0.555 . . . . 0.0 112.311 -171.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -95.03 -53.3 3.87 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.3 0.64 . . . . 0.0 111.119 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.88 -8.09 59.28 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.977 0.911 . . . . 0.0 113.396 -168.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.02 155.71 48.18 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.54 18.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.845 0.858 . . . . 0.0 108.984 171.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 5' ' ' SER . 38.3 mm -125.89 124.81 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.558 ' HE2' ' HE ' ' A' ' 73' ' ' ARG . 77.4 m-85 -127.13 113.83 16.91 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.471 1.108 . . . . 0.0 108.974 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.63 132.42 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.629 0.772 . . . . 0.0 109.106 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -105.69 146.39 29.83 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.2 tp60 -128.84 146.68 50.86 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.586 1.155 . . . . 0.0 109.677 -169.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -125.64 120.75 31.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.015 0.526 . . . . 0.0 109.689 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.54 152.52 21.06 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.75 0.82 . . . . 0.0 111.047 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.662 HH11 ' HB3' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -51.59 -26.96 9.74 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.062 1.345 . . . . 0.0 113.421 170.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.95 -13.45 62.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.279 1.032 . . . . 0.0 112.304 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.44 68.47 Favored Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -171.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -108.82 163.69 13.05 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.833 0.853 . . . . 0.0 109.341 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.14 148.27 41.41 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.896 0.878 . . . . 0.0 109.634 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -120.06 168.82 10.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.747 0.819 . . . . 0.0 110.419 178.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -141.91 141.99 33.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 48.8 m-85 -126.81 155.25 43.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.092 0.957 . . . . 0.0 109.362 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.08 168.45 29.49 Favored Glycine 0 N--CA 1.463 0.459 0 CA-C-O 119.132 -0.816 . . . . 0.0 111.744 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.59 112.22 3.17 Favored 'Trans proline' 0 C--N 1.365 1.421 0 C-N-CA 122.18 1.92 . . . . 0.0 110.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.548 0.874 0 C-N-CA 122.804 0.442 . . . . 0.0 110.913 -177.049 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -54.74 119.35 5.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.154 0.982 . . . . 0.0 110.567 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -83.73 157.45 22.14 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -99.61 173.82 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 110.399 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.64 168.04 19.0 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 125.076 1.35 . . . . 0.0 107.776 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -100.18 106.09 17.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.3 mmt180 -63.47 -57.56 9.83 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.852 0.861 . . . . 0.0 110.145 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.9 mt -126.01 151.92 46.44 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.432 0.693 . . . . 0.0 109.73 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.58 138.34 15.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.111 0.564 . . . . 0.0 110.56 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.74 25.91 72.99 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.847 0.717 . . . . 0.0 113.279 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.69 -169.95 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.833 0.853 . . . . 0.0 109.661 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.0 pt-20 -111.47 170.81 7.87 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.24 0.616 . . . . 0.0 110.428 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.06 -22.35 66.76 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 123.74 0.65 . . . . 0.0 113.979 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.63 -39.66 84.66 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.972 0.509 . . . . 0.0 109.981 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 9.5 mm-40 -69.44 -37.72 77.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.31 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.3 mm -58.85 -56.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.988 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.62 69.4 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.26 0.624 . . . . 0.0 111.597 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.12 99.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.112 0.565 . . . . 0.0 111.193 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.412 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -80.9 -35.78 32.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.335 -179.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.6 -30.04 64.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.788 0.435 . . . . 0.0 110.783 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.48 -44.3 71.44 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.051 1.34 . . . . 0.0 110.395 172.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.35 -41.4 80.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.366 0.667 . . . . 0.0 111.715 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.45 -37.16 57.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.605 0.762 . . . . 0.0 111.042 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -64.32 -28.6 69.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 123.422 0.451 . . . . 0.0 111.5 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.56 -35.92 79.14 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.365 0.666 . . . . 0.0 110.478 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -92.75 -30.49 15.49 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.511 0.724 . . . . 0.0 111.301 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -144.38 80.54 1.64 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.587 1.155 . . . . 0.0 109.062 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -69.15 -15.99 63.54 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.199 0.6 . . . . 0.0 110.819 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.47 17.47 4.51 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.29 1.036 . . . . 0.0 111.781 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.64 161.28 27.92 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 109.903 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -117.04 128.81 55.53 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.45 1.1 . . . . 0.0 108.689 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.488 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 93.1 t -99.54 128.28 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.67 125.05 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.7 134.55 33.96 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.8 pt -132.4 126.0 54.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.98 99.68 8.75 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.494 HG23 HE22 ' A' ' 40' ' ' GLN . 3.2 t -162.24 154.09 18.74 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.107 -175.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.662 ' HB3' HH11 ' A' ' 43' ' ' ARG . 35.9 m-20 -98.94 3.75 47.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.924 0.489 . . . . 0.0 111.465 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -145.2 137.99 26.2 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.549 0.739 . . . . 0.0 109.396 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.3 tp -105.65 -40.86 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.405 0.682 . . . . 0.0 111.613 -172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.59 70.13 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.397 0.436 . . . . 0.0 114.161 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -75.8 -21.59 57.19 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.041 0.936 . . . . 0.0 112.269 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -128.88 1.73 5.36 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.737 0.815 . . . . 0.0 112.796 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 106' ' ' ILE . 57.3 tp -168.38 123.99 0.98 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.392 1.077 . . . . 0.0 108.836 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.5 m -90.67 136.56 32.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.274 0.63 . . . . 0.0 111.156 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 106' ' ' ILE . 21.5 mt -127.01 149.05 50.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.512 1.125 . . . . 0.0 110.362 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.8 m -81.12 -25.66 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.839 0.856 . . . . 0.0 111.154 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -99.06 -58.82 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.836 0.855 . . . . 0.0 111.386 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 . . . . . 0 N--CA 1.485 1.306 0 C-N-CA 122.892 0.477 . . . . 0.0 110.549 178.396 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 121.586 0.708 . . . . 0.0 109.926 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.421 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -135.93 -175.16 3.88 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.671 1.189 . . . . 0.0 109.326 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 99.3 mttt -74.54 164.59 26.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.975 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.619 ' HB3' HD11 ' A' ' 36' ' ' ILE . 12.5 m -60.97 -35.06 75.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.967 0.907 . . . . 0.0 110.785 173.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.65 -55.6 16.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.724 1.21 . . . . 0.0 110.158 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.421 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.6 tpt -65.07 -26.4 68.22 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.651 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.88 -52.5 56.21 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.748 0.419 . . . . 0.0 110.503 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 13' ' ' ILE . 47.1 t -67.52 -39.96 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.974 0.796 . . . . 0.0 110.535 -176.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -58.09 -39.51 78.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.181 0.592 . . . . 0.0 110.48 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.91 -32.2 61.74 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.379 0.672 . . . . 0.0 111.44 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD11 HG21 ' A' ' 38' ' ' VAL . 3.3 tt -64.37 -44.68 90.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.273 1.029 . . . . 0.0 110.308 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.597 HG22 ' HE ' ' A' ' 14' ' ' ARG . 1.5 mp -56.54 -41.9 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.597 ' HE ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -65.61 -36.12 82.8 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.311 0.644 . . . . 0.0 111.801 177.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.7 mtp180 -63.19 -46.88 84.99 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 23' ' ' ALA . 6.3 m -71.41 -39.8 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -175.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.64 -31.25 71.13 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.375 0.67 . . . . 0.0 110.652 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.38 62.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.151 0.58 . . . . 0.0 110.807 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.84 -2.32 58.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.691 0.796 . . . . 0.0 111.826 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.34 26.78 27.13 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.03 0.206 . . . . 0.0 113.34 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.42 -163.94 13.13 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.366 0.507 . . . . 0.0 112.501 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -129.7 156.02 44.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.48 1.112 . . . . 0.0 109.737 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -162.27 158.7 24.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.831 0.852 . . . . 0.0 110.903 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.76 2.37 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 t -78.49 102.74 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.754 0.821 . . . . 0.0 109.43 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -79.09 -41.27 29.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.505 0.722 . . . . 0.0 111.801 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -128.24 144.22 51.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.251 0.62 . . . . 0.0 109.464 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 84.7 tttt -129.51 120.9 26.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.21 1.004 . . . . 0.0 109.741 -176.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 -142.31 8.89 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.216 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 130.65 44.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.52 0.728 . . . . 0.0 111.178 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 43.5 mt-10 -65.25 -46.15 81.71 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.678 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.14 -42.1 8.76 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.894 0.477 . . . . 0.0 111.596 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.91 21.43 17.41 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.421 0.688 . . . . 0.0 112.849 -167.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.0 145.34 17.74 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 114.092 0.397 . . . . 0.0 114.092 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 159.18 32.43 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 5' ' ' SER . 20.8 mm -133.94 121.43 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.51 113.93 18.1 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.404 1.082 . . . . 0.0 108.885 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 12' ' ' LEU . 43.1 t -113.13 149.54 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.294 1.038 . . . . 0.0 109.206 -175.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 11.2 ptp180 -122.58 120.9 35.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -87.5 121.17 29.59 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 36.2 ttm180 -94.6 129.34 41.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.526 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.8 mm? -97.93 167.14 11.1 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.989 0.916 . . . . 0.0 110.605 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.62 -21.12 66.2 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.871 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -23.75 62.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.116 1.367 . . . . 0.0 112.084 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 -3.67 62.53 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.1 170.37 10.08 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.708 0.803 . . . . 0.0 110.638 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.5 mt-10 -144.01 161.21 39.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.751 0.821 . . . . 0.0 111.371 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.526 ' ND2' HD21 ' A' ' 42' ' ' LEU . 29.7 m-80 -111.98 170.9 7.83 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 108.624 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 82' ' ' ILE . 17.6 tp -135.85 142.89 44.85 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.67 157.81 42.75 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.594 1.157 . . . . 0.0 108.328 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.53 175.69 30.27 Favored Glycine 0 N--CA 1.465 0.616 0 CA-C-O 118.611 -1.105 . . . . 0.0 110.482 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 120.36 6.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 CA-C-N 120.206 2.003 . . . . 0.0 110.379 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.812 0 CA-C-O 119.095 -0.478 . . . . 0.0 109.734 177.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.245 0.861 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 133.18 38.27 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -95.06 157.85 15.71 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.9 m-85 -100.9 166.38 10.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.614 0.366 . . . . 0.0 111.152 -173.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 113' ' ' VAL . 12.2 pt-20 -121.97 144.45 48.87 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.654 1.181 . . . . 0.0 108.822 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -87.6 109.64 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -77.03 -67.0 0.75 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.366 0.666 . . . . 0.0 109.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -114.56 160.31 19.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.733 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.55 129.45 9.44 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.077 0.551 . . . . 0.0 110.391 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.04 27.2 73.75 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 123.931 0.769 . . . . 0.0 113.731 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -102.46 -171.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.209 1.004 . . . . 0.0 110.42 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.6 pt-20 -103.6 168.29 9.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.501 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.32 -23.62 64.62 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.86 0.725 . . . . 0.0 114.027 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.22 -39.56 75.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 122.91 0.484 . . . . 0.0 110.539 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 49.9 mm-40 -65.15 -36.06 83.04 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.953 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 49' ' ' LEU . 44.5 mm -62.9 -56.0 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.708 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.92 69.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.86 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.99 84.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.141 0.976 . . . . 0.0 112.468 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -82.78 -41.96 18.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.463 0.173 . . . . 0.0 111.091 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 49' ' ' LEU . 83.4 mt -59.98 -28.57 67.79 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 11.7 pt-20 -69.37 -34.57 74.75 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.701 0.626 . . . . 0.0 110.72 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -77.06 -34.41 57.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.45 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -74.6 -41.33 60.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.552 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -72.05 -28.07 63.1 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.663 0.602 . . . . 0.0 111.328 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 55.2 ttt180 -55.05 -49.42 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.249 1.02 . . . . 0.0 110.159 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -79.39 -48.2 14.42 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.578 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -142.33 99.26 3.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.599 1.16 . . . . 0.0 108.98 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -77.27 -2.57 35.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.324 0.65 . . . . 0.0 111.141 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.74 10.53 3.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.473 0.709 . . . . 0.0 112.179 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -77.87 161.83 27.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.577 0.703 . . . . 0.0 109.618 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.423 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 19.3 m95 -111.5 135.95 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.06 124.27 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.94 129.17 72.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 10.8 pt-20 -98.09 126.52 43.57 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 169.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 35.1 pt -122.87 141.35 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -119.48 108.86 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.7 t -161.34 154.22 20.81 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.141 0.496 . . . . 0.0 110.776 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -74.6 -41.36 60.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.844 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.18 161.62 27.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.289 0.635 . . . . 0.0 110.448 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.422 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -108.72 -24.77 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 123.393 0.677 . . . . 0.0 111.007 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.96 76.51 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.921 0.728 . . . . 0.0 114.921 -165.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -83.92 -25.03 30.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.072 0.549 . . . . 0.0 112.296 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -121.54 1.26 10.07 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -165.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -161.4 148.96 15.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -112.43 131.82 55.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.048 0.539 . . . . 0.0 110.556 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 70' ' ' PHE . 14.1 mt -128.11 167.38 16.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.182 0.993 . . . . 0.0 110.606 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 71' ' ' GLU . 31.0 m -98.69 -11.07 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.039 0.936 . . . . 0.0 110.666 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -109.69 -60.47 1.78 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.006 0.522 . . . . 0.0 111.796 -170.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.486 1.348 0 C-N-CA 123.358 0.663 . . . . 0.0 112.24 -178.815 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.463 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 40.1 mtm180 . . . . . 0 C--O 1.238 0.462 0 CA-C-O 121.603 0.716 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.436 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 164.86 28.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.134 -178.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 17.2 ptpt -72.33 166.99 21.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 122.434 0.293 . . . . 0.0 110.309 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.639 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.2 m -62.71 -35.98 81.49 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.868 0.867 . . . . 0.0 112.031 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.643 0.777 . . . . 0.0 110.971 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.6 tpt -76.84 -23.91 52.7 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -71.73 -45.66 61.07 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 HG21 ' CE3' ' A' ' 97' ' ' TRP . 34.3 m -66.61 -39.06 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.72 0.638 . . . . 0.0 111.082 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 m -58.89 -47.38 85.17 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.707 0.63 . . . . 0.0 109.99 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.32 -38.6 81.74 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.385 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.72 -42.34 92.86 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.43 1.092 . . . . 0.0 109.974 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 25' ' ' VAL . 89.1 mt -61.6 -45.33 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.533 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -69.18 -24.84 64.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.253 -0.279 . . . . 0.0 110.987 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.1 mtp180 -67.44 -44.87 77.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.06 0.544 . . . . 0.0 110.973 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -71.72 -36.22 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.573 -177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 43.8 m-85 -70.03 -27.26 64.52 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.376 0.671 . . . . 0.0 110.65 176.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.99 74.89 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.782 0.433 . . . . 0.0 110.675 169.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.64 -22.76 40.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.271 0.628 . . . . 0.0 111.581 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.17 -0.93 37.91 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 120.08 -0.289 . . . . 0.0 113.177 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.57 -164.14 28.05 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 122.971 0.32 . . . . 0.0 113.622 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.1 t80 -126.76 157.64 38.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.561 1.144 . . . . 0.0 109.265 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.4 154.67 21.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.526 0.73 . . . . 0.0 110.581 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.7 130.69 2.41 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.139 0.899 . . . . 0.0 110.4 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.485 HG23 HD11 ' A' ' 13' ' ' ILE . 98.1 t -76.21 109.11 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.056 0.542 . . . . 0.0 109.732 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -77.01 -73.3 0.3 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.462 0.705 . . . . 0.0 110.06 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.05 146.68 23.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 122.699 0.4 . . . . 0.0 110.086 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 56.8 tttm -125.05 146.03 49.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.79 0.836 . . . . 0.0 109.706 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.11 -128.59 2.57 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.971 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.13 148.38 28.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.506 0.722 . . . . 0.0 112.008 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 42.1 mt-10 -65.53 -62.51 1.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.505 0.722 . . . . 0.0 112.501 -176.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.85 -44.17 7.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.987 0.515 . . . . 0.0 111.334 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.68 4.34 44.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.736 0.814 . . . . 0.0 112.495 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.91 134.78 22.26 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 123.392 0.433 . . . . 0.0 112.941 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.72 157.38 37.63 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 167.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.639 HD11 ' HB3' ' A' ' 5' ' ' SER . 34.2 mm -136.09 115.8 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 -177.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 67.9 m-85 -121.24 112.3 18.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.838 0.855 . . . . 0.0 109.689 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -110.22 134.87 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.471 1.109 . . . . 0.0 109.147 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.539 HH11 ' HB3' ' A' ' 100' ' ' GLU . 11.3 ptp85 -106.79 135.96 47.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.1 tt0 -101.03 128.11 47.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -95.23 104.94 16.84 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.65 142.31 35.68 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -60.65 -13.23 13.33 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.181 0.992 . . . . 0.0 112.707 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.27 -14.58 63.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.687 0.795 . . . . 0.0 112.358 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.76 16.89 59.15 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -116.28 170.42 8.54 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.151 0.98 . . . . 0.0 109.524 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 50.5 mt-10 -143.02 142.27 31.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.525 0.73 . . . . 0.0 110.455 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.527 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -102.62 172.32 6.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.022 0.929 . . . . 0.0 109.169 170.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -142.96 140.44 31.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 36.0 m-85 -130.3 146.46 51.9 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.395 1.078 . . . . 0.0 108.89 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 169.59 27.38 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-O 118.937 -0.924 . . . . 0.0 111.303 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.91 126.95 18.33 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.5 2.134 . . . . 0.0 111.426 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 C-N-CA 124.081 0.952 . . . . 0.0 111.259 -176.913 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -69.9 117.03 10.96 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.312 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -84.45 154.26 22.86 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -100.58 174.41 6.09 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.864 0.466 . . . . 0.0 110.731 -171.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.57 168.49 19.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.313 1.445 . . . . 0.0 107.987 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.7 m -95.92 107.96 20.29 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 11.3 mmt180 -66.77 -61.6 1.88 Allowed 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -122.94 154.72 38.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.785 0.834 . . . . 0.0 109.411 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.94 117.44 8.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.465 0.306 . . . . 0.0 111.539 -174.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.527 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 66.77 31.84 79.5 Favored Glycine 0 C--N 1.349 1.276 0 O-C-N 123.719 0.637 . . . . 0.0 113.131 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.78 -167.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 0.0 109.577 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -106.1 170.55 7.85 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.68 -24.2 67.82 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.848 -0.614 . . . . 0.0 114.477 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.48 -46.37 89.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.697 0.799 . . . . 0.0 110.509 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.42 -39.26 78.0 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.089 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 49' ' ' LEU . 48.4 mm -58.45 -53.22 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.881 0.738 . . . . 0.0 109.892 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -28.07 67.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.436 0.694 . . . . 0.0 111.925 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.2 88.73 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.114 0.566 . . . . 0.0 111.233 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -80.99 -40.6 24.07 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.885 177.119 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.76 -28.1 63.64 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.667 0.387 . . . . 0.0 110.401 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.09 -45.81 79.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.102 1.361 . . . . 0.0 110.561 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' HD12 ' A' ' 85' ' ' LEU . 66.3 mtp180 -66.68 -48.08 70.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.254 0.622 . . . . 0.0 110.429 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.07 -36.49 74.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.288 0.635 . . . . 0.0 111.283 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -69.27 -29.95 67.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 123.402 0.439 . . . . 0.0 111.21 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -42.43 99.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.994 0.918 . . . . 0.0 109.64 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -75.58 -54.97 6.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.466 0.706 . . . . 0.0 110.03 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.58 102.81 5.04 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.876 0.87 . . . . 0.0 110.52 -171.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -77.87 -3.28 40.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.301 0.64 . . . . 0.0 111.605 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.09 9.04 4.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.176 0.59 . . . . 0.0 112.201 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.5 pt? -74.98 147.9 40.42 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.246 0.546 . . . . 0.0 110.549 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 14.6 m95 -106.21 127.2 53.05 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 91.0 t -102.02 116.21 45.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.6 t -116.28 121.51 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.539 ' HB3' HH11 ' A' ' 39' ' ' ARG . 10.2 pt-20 -91.59 109.67 20.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.5 139.82 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 32.6 tt0 -118.32 109.16 15.97 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -159.81 162.75 34.83 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.367 0.603 . . . . 0.0 110.916 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.04 -41.6 28.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 110.118 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.56 163.46 27.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.189 0.996 . . . . 0.0 110.349 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 112' ' ' LEU . 9.3 tp -117.33 -41.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -170.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.28 74.46 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 123.237 0.336 . . . . 0.0 113.837 -168.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.8 t -70.7 -27.99 64.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.624 0.769 . . . . 0.0 112.276 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -122.98 2.31 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.587 0.755 . . . . 0.0 112.819 -171.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.5 tp -170.92 126.67 0.71 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.961 0.905 . . . . 0.0 109.186 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -86.68 136.05 33.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.428 . . . . 0.0 111.358 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.516 HD11 HG12 ' A' ' 106' ' ' ILE . 27.4 mt -128.46 139.7 52.21 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.735 1.214 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.64 -24.42 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 123.649 0.779 . . . . 0.0 110.592 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.56 -58.78 2.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.509 0.723 . . . . 0.0 111.188 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 N--CA 1.479 1.007 0 C-N-CA 122.677 0.391 . . . . 0.0 111.009 179.011 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 1.004 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.454 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -141.86 -176.24 4.7 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.052 0.941 . . . . 0.0 111.255 -176.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.01 157.97 32.14 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 36' ' ' ILE . 23.9 m -62.66 -35.69 80.45 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.2 1.0 . . . . 0.0 110.795 174.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -65.6 -46.9 77.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.594 1.157 . . . . 0.0 110.386 173.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG3' HD22 ' A' ' 3' ' ' LEU . 5.7 tpt -68.62 -22.49 64.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.378 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 12' ' ' LEU . 68.8 t80 -75.91 -47.54 24.87 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.089 0.556 . . . . 0.0 109.836 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.87 -37.41 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 123.425 0.453 . . . . 0.0 111.345 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -58.42 -44.05 88.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.953 0.783 . . . . 0.0 110.287 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -71.26 -37.16 71.94 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.458 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 8' ' ' PHE . 4.7 tt -63.31 -42.27 99.01 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.542 1.137 . . . . 0.0 110.433 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 69.2 mt -57.89 -45.3 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.842 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.88 -24.02 60.8 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 119.215 -0.421 . . . . 0.0 111.933 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.0 mtp180 -59.98 -46.83 88.16 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.648 0.379 . . . . 0.0 110.29 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 109' ' ' LEU . 3.6 m -73.59 -36.9 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.874 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -66.52 -28.35 68.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.324 0.65 . . . . 0.0 111.023 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -30.05 69.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.133 0.573 . . . . 0.0 111.086 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.51 4.68 53.06 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.643 0.777 . . . . 0.0 111.599 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.29 78.68 Favored Glycine 0 C--N 1.353 1.508 0 C-N-CA 122.937 0.304 . . . . 0.0 113.636 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.37 -179.97 47.62 Favored Glycine 0 C--N 1.344 0.99 0 C-N-CA 122.994 0.33 . . . . 0.0 113.798 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -114.78 155.12 27.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.355 1.062 . . . . 0.0 109.603 -174.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 155.23 30.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.202 0.601 . . . . 0.0 111.33 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.96 121.05 1.03 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.212 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.73 96.71 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.745 0.783 . . . . 0.0 110.027 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.62 -64.58 0.83 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.836 1.255 . . . . 0.0 111.275 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -98.01 145.16 26.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.799 0.44 . . . . 0.0 110.256 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -122.76 137.64 54.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.903 0.881 . . . . 0.0 109.338 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.29 -134.37 3.94 Favored Glycine 0 C--N 1.34 0.753 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.01 137.49 35.09 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.516 0.726 . . . . 0.0 111.093 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.43 -56.25 19.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.063 0.545 . . . . 0.0 112.167 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.02 -57.59 2.76 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.651 0.38 . . . . 0.0 111.615 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.62 4.72 39.15 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.35 153.47 47.98 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 120.113 -0.271 . . . . 0.0 112.823 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.77 165.43 16.9 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.683 HG12 HH21 ' A' ' 68' ' ' ARG . 41.8 mm -134.71 123.49 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.5 m-85 -123.15 113.05 18.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.984 0.914 . . . . 0.0 108.748 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.27 131.93 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.856 0.862 . . . . 0.0 109.084 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 2.0 ptm180 -108.6 115.87 30.91 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 109.648 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.592 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.6 tt0 -80.66 149.75 29.68 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -129.82 120.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.37 1.068 . . . . 0.0 108.167 173.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.3 mm? -83.71 137.89 33.55 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -60.42 -14.69 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.111 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.93 -42.18 77.1 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.006 1.322 . . . . 0.0 110.834 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.55 -15.03 2.03 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.003 -0.544 . . . . 0.0 113.413 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' HD23 ' A' ' 42' ' ' LEU . 10.2 mmt180 -88.96 163.53 15.52 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 117.478 0.639 . . . . 0.0 111.009 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -126.83 170.51 12.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.507 1.123 . . . . 0.0 109.819 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 12.8 m-80 -143.95 162.66 35.58 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.461 1.504 . . . . 0.0 107.955 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -134.39 142.05 47.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 53.7 m-85 -132.95 148.92 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.531 1.132 . . . . 0.0 108.367 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 177.62 24.27 Favored Glycine 0 N--CA 1.466 0.654 0 CA-C-O 119.129 -0.817 . . . . 0.0 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HD2' ' A' ' 68' ' ' ARG . 23.0 Cg_exo -65.81 117.59 4.77 Favored 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.321 2.014 . . . . 0.0 110.84 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.883 0 C-N-CA 123.513 0.725 . . . . 0.0 110.988 178.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--O 1.246 0.895 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.683 HH21 HG12 ' A' ' 36' ' ' ILE . 13.0 ptt180 -73.35 122.27 21.77 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HD3' HG22 ' A' ' 111' ' ' THR . 30.0 ttm-85 -77.26 164.96 25.1 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -102.21 164.8 11.49 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.733 0.413 . . . . 0.0 111.39 -176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -127.57 155.16 44.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.827 1.251 . . . . 0.0 108.351 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.5 m -87.79 102.85 15.07 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.0 mmm180 -72.04 -56.31 5.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.575 0.75 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . 92.6 mt -121.8 158.56 28.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.668 0.787 . . . . 0.0 109.748 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.54 138.27 16.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.025 0.53 . . . . 0.0 110.874 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.14 31.75 62.36 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 123.893 0.746 . . . . 0.0 113.511 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.0 -165.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.609 1.164 . . . . 0.0 110.099 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.47 170.89 8.55 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.318 0.647 . . . . 0.0 110.386 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -22.04 66.9 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.603 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.51 -41.87 83.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.035 0.534 . . . . 0.0 110.158 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.75 -37.21 84.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.423 0.689 . . . . 0.0 111.274 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' LEU . 47.1 mm -62.86 -56.6 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.811 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.73 68.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.726 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -60.39 -44.66 95.44 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.824 0.703 . . . . 0.0 110.619 175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tp -78.43 -44.94 23.48 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.323 0.39 . . . . 0.0 111.505 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.57 -35.23 65.53 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.58 0.55 . . . . 0.0 111.65 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -29.1 63.86 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.811 0.695 . . . . 0.0 110.473 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 68.0 mtt180 -73.09 -52.07 15.66 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.18 -38.28 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.636 -172.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -66.05 -29.3 69.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.55 0.531 . . . . 0.0 111.876 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -61.86 -48.74 79.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.518 0.727 . . . . 0.0 109.856 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.11 -52.9 9.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 0.0 110.635 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -134.5 97.15 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.253 1.021 . . . . 0.0 108.984 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 t -76.46 -5.52 47.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.577 0.751 . . . . 0.0 111.958 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.69 -2.7 18.27 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -72.7 154.14 40.84 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 121.565 0.698 . . . . 0.0 110.186 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -107.85 151.65 25.47 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.9 t -124.01 122.96 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -120.25 122.84 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.6 pt-20 -85.31 129.8 34.73 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' A' ' 40' ' ' GLN . 46.1 pt -126.59 135.95 62.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -117.23 110.26 17.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.425 HG23 HE21 ' A' ' 40' ' ' GLN . 5.1 t -164.81 157.24 16.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.45 0.7 . . . . 0.0 110.953 -174.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -69.45 -51.16 38.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.061 0.944 . . . . 0.0 111.243 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -105.67 172.56 6.73 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.948 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.4 tp -132.73 -40.45 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.8 95.02 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 123.448 0.467 . . . . 0.0 114.028 -167.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.5 t -69.3 -31.85 70.61 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.577 0.751 . . . . 0.0 111.76 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -112.74 3.03 16.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.642 0.777 . . . . 0.0 112.349 -170.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.5 tp -174.36 116.04 0.2 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.853 1.261 . . . . 0.0 108.247 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.432 HG22 ' HD3' ' A' ' 69' ' ' ARG . 19.6 m -83.03 138.17 33.84 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.076 0.55 . . . . 0.0 111.182 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 mt -127.26 152.22 47.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.853 0.861 . . . . 0.0 110.836 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.23 -23.17 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.395 1.078 . . . . 0.0 109.392 170.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -83.08 -62.82 1.49 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.118 -174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 . . . . . 0 CA--C 1.542 0.672 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.345 176.208 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 42.1 mtm180 . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 122.058 0.932 . . . . 0.0 109.837 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -123.17 171.46 9.31 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.758 -170.545 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 17.9 ptpt -78.41 172.7 13.24 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.297 0.373 . . . . 0.0 110.235 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.635 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.3 m -58.98 -47.68 84.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.541 1.136 . . . . 0.0 111.726 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.84 -39.9 95.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.578 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.516 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 6.4 tpt -69.59 -23.97 63.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -76.66 -49.15 16.86 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -62.52 -39.67 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 123.406 0.441 . . . . 0.0 111.535 -174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -60.19 -47.31 86.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.63 0.772 . . . . 0.0 110.227 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.01 73.03 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.905 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.31 -41.53 96.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.929 1.292 . . . . 0.0 111.055 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.596 HD11 HG23 ' A' ' 25' ' ' VAL . 83.2 mt -65.03 -36.39 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.312 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -74.49 -25.57 59.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.21 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -66.01 -48.2 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.294 0.371 . . . . 0.0 110.118 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG12 HD13 ' A' ' 109' ' ' LEU . 7.2 m -67.95 -42.29 85.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.306 -174.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.17 -28.66 63.37 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.364 0.665 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.375 . . . . 0.0 110.219 171.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.48 67.42 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.851 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.15 -19.56 4.33 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 123.22 0.438 . . . . 0.0 113.068 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.07 -179.97 44.28 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.25 0.46 . . . . 0.0 114.25 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 75.5 t80 -110.91 156.77 20.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.29 1.436 . . . . 0.0 109.676 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.69 161.3 37.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.176 0.991 . . . . 0.0 110.479 171.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.63 126.41 1.06 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.997 0.811 . . . . 0.0 110.642 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 13' ' ' ILE . 93.4 t -73.53 107.53 4.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -85.12 -56.14 3.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.823 0.849 . . . . 0.0 110.448 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 64.3 tttp -101.8 140.54 35.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.73 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -130.75 125.67 34.43 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.328 1.051 . . . . 0.0 109.134 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -133.09 4.19 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.81 121.75 18.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.336 0.655 . . . . 0.0 110.663 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -66.26 -44.06 84.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.68 0.792 . . . . 0.0 111.351 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -78.4 -57.21 3.9 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.639 0.776 . . . . 0.0 112.073 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.59 26.49 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.682 0.793 . . . . 0.0 113.098 -167.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.64 154.35 34.2 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 113.65 0.22 . . . . 0.0 113.65 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.65 31.88 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.635 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.6 mm -128.24 111.1 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.7 m-85 -110.54 113.7 26.53 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.785 0.834 . . . . 0.0 109.283 175.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -109.57 129.08 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.573 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -113.6 119.28 36.93 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.347 0.594 . . . . 0.0 110.275 -177.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.9 tp60 -82.24 146.95 29.21 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.689 1.596 . . . . 0.0 111.018 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -130.82 123.22 28.62 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.626 0.771 . . . . 0.0 109.338 172.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.9 mm? -93.42 167.95 11.38 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.046 0.938 . . . . 0.0 111.359 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.9 -27.84 68.5 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.069 170.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.42 -23.64 64.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.104 1.362 . . . . 0.0 111.919 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.9 20.42 55.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.15 177.81 4.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.047 0.939 . . . . 0.0 108.814 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.55 163.89 31.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.561 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.3 m-80 -134.36 164.57 27.12 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 168.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -133.8 143.4 48.36 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -129.27 159.57 35.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.183 0.993 . . . . 0.0 108.929 -176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.59 172.6 31.71 Favored Glycine 0 N--CA 1.459 0.194 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.497 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 6.5 Cg_exo -73.17 118.05 5.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.303 2.002 . . . . 0.0 110.337 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.767 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.241 0.641 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -81.76 134.87 35.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.09 0.472 . . . . 0.0 110.838 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.79 161.4 23.27 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.724 -1.214 . . . . 0.0 107.724 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.07 175.07 5.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 -176.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.52 168.62 19.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.192 1.397 . . . . 0.0 109.059 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.4 m -101.5 111.95 24.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.05 -46.46 51.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.357 0.663 . . . . 0.0 110.73 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.7 mt -139.6 158.25 44.44 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.052 0.941 . . . . 0.0 109.153 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.14 136.03 14.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.21 26.09 68.95 Favored Glycine 0 C--N 1.357 1.725 0 O-C-N 123.881 0.738 . . . . 0.0 113.371 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.5 m -102.94 -167.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.802 1.241 . . . . 0.0 110.228 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.4 pt-20 -121.08 172.41 7.97 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.131 0.572 . . . . 0.0 110.805 177.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.95 65.94 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 124.122 0.889 . . . . 0.0 114.403 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.53 -44.59 82.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.074 0.55 . . . . 0.0 110.057 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.83 -38.1 85.78 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.599 0.76 . . . . 0.0 110.742 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.441 HG21 ' HE ' ' A' ' 39' ' ' ARG . 49.1 mm -61.18 -56.47 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.357 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.54 65.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.783 0.833 . . . . 0.0 111.342 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -65.22 -39.18 92.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.092 0.557 . . . . 0.0 111.203 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -41.03 21.52 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.83 0.286 . . . . 0.0 111.038 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.62 -31.86 62.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.157 0.583 . . . . 0.0 111.082 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -75.17 -32.03 61.15 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.508 0.505 . . . . 0.0 110.17 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 33.6 mtp-105 -70.28 -50.39 39.99 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 121.496 0.665 . . . . 0.0 109.398 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -66.47 -42.79 86.99 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.497 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -66.43 -28.79 68.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 123.604 0.565 . . . . 0.0 111.393 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -62.4 -46.46 88.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.585 0.754 . . . . 0.0 110.08 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -89.96 -14.31 34.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.999 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -161.71 91.26 0.81 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.437 0.695 . . . . 0.0 109.837 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -77.09 -3.14 37.75 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 122.984 0.514 . . . . 0.0 110.723 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.44 3.26 16.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.762 0.825 . . . . 0.0 112.237 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.65 160.29 25.08 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.013 0.435 . . . . 0.0 110.906 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -118.25 127.34 53.63 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.98 1.312 . . . . 0.0 108.779 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.451 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 99.2 t -99.63 116.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 25' ' ' VAL . 29.7 t -110.32 112.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 10.1 pt-20 -88.06 108.34 19.19 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.524 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -103.5 150.75 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.376 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 39.0 tt0 -138.83 105.91 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 HE22 ' A' ' 40' ' ' GLN . 4.8 t -159.84 159.97 33.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.779 -175.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -74.12 -45.33 49.63 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.338 0.655 . . . . 0.0 110.22 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -119.64 142.67 48.23 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.187 0.595 . . . . 0.0 110.129 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 tp -94.92 -35.98 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.446 0.698 . . . . 0.0 110.544 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.79 77.66 1.75 Allowed Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.83 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t 176.43 -30.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.361 1.464 . . . . 0.0 108.974 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.559 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -125.44 -3.9 7.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.661 0.784 . . . . 0.0 112.531 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.54 138.52 13.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -107.29 125.08 50.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.537 0.735 . . . . 0.0 110.652 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.95 155.33 39.77 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.305 1.042 . . . . 0.0 110.512 -174.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.3 m -87.16 -28.05 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.853 0.861 . . . . 0.0 110.085 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.27 -46.44 41.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.863 0.865 . . . . 0.0 110.21 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 123.681 0.792 . . . . 0.0 110.133 178.188 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 61.8 ttt-85 . . . . . 0 N--CA 1.475 0.811 0 CA-C-O 121.244 0.545 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 174.42 10.53 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.575 1.15 . . . . 0.0 109.636 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.7 ptpp? -72.96 169.32 17.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.383 0.273 . . . . 0.0 110.597 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.3 m -59.39 -45.06 92.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.146 0.979 . . . . 0.0 111.852 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.8 tm-20 -63.5 -39.53 94.69 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.508 1.123 . . . . 0.0 111.174 178.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.553 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.5 tpt -77.23 -23.77 51.29 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -76.3 -43.41 41.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.15 -41.67 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 123.507 0.504 . . . . 0.0 110.34 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.7 t -62.36 -48.72 78.55 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.822 0.701 . . . . 0.0 109.664 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.22 -38.16 82.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.198 0.599 . . . . 0.0 111.226 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 3.7 tt -64.08 -38.68 91.94 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.108 0.963 . . . . 0.0 110.143 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -63.74 -42.48 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.533 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 10' ' ' SER . 9.3 mpt_? -72.59 -24.37 61.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 122.111 -0.368 . . . . 0.0 110.606 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.4 mtt180 -65.07 -49.54 69.67 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.067 0.547 . . . . 0.0 110.549 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 5.5 m -68.74 -40.53 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.244 -174.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -69.56 -28.78 66.28 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.047 0.539 . . . . 0.0 110.679 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.65 66.85 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.774 0.43 . . . . 0.0 111.199 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -10.48 32.84 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.462 0.705 . . . . 0.0 111.765 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.7 4.8 56.9 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.95 -174.37 45.36 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-N 117.157 0.478 . . . . 0.0 113.4 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -112.93 159.22 19.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.426 1.09 . . . . 0.0 109.865 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -159.94 154.3 23.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.581 0.752 . . . . 0.0 111.421 174.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.46 124.05 1.14 Allowed 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.226 0.954 . . . . 0.0 110.046 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 13' ' ' ILE . 57.9 t -69.54 103.93 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.228 0.611 . . . . 0.0 110.259 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.63 -66.87 0.49 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.062 0.945 . . . . 0.0 110.493 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -108.65 144.82 35.89 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.634 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 87.2 tttt -117.51 129.89 56.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.708 1.203 . . . . 0.0 109.215 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.06 -140.35 6.08 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.61 126.48 31.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.608 0.763 . . . . 0.0 110.845 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.49 -46.22 90.91 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.14 -61.77 1.67 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.808 0.443 . . . . 0.0 111.962 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.59 0.83 56.75 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -166.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.33 152.95 51.16 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 114.545 0.578 . . . . 0.0 114.545 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.76 165.16 22.18 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.3 mm -133.46 113.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 30.9 m-85 -111.94 112.92 24.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.433 0.693 . . . . 0.0 109.161 172.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.94 141.71 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 14.7 ptp180 -106.67 134.22 50.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 56.4 tt0 -84.07 145.65 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 164.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -124.17 132.85 53.66 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.139 0.495 . . . . 0.0 109.801 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.18 143.99 27.45 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 167.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.79 HH22 ' HB3' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -63.3 -15.24 56.67 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.416 0.686 . . . . 0.0 111.508 173.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.08 -13.94 62.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.141 1.377 . . . . 0.0 112.031 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -5.88 66.26 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -150.5 153.37 35.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 0.0 110.218 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -118.72 170.81 8.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -139.72 142.98 36.82 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.407 ' H ' HD23 ' A' ' 49' ' ' LEU . 40.1 m-85 -132.2 156.45 46.43 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.499 1.12 . . . . 0.0 109.318 -176.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.5 166.8 30.78 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.28 128.52 13.86 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 122.234 1.956 . . . . 0.0 111.601 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.826 0 C-N-CA 124.215 1.006 . . . . 0.0 110.599 -179.779 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.476 0.854 0 CA-C-O 120.815 0.34 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -68.17 127.48 33.06 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.739 170.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -86.1 154.54 21.3 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.4 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -101.09 175.14 5.69 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.996 0.519 . . . . 0.0 111.418 -173.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -140.48 157.45 45.49 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.23 1.412 . . . . 0.0 109.284 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -92.38 111.38 22.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.053 0.541 . . . . 0.0 109.547 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -74.26 -58.63 3.17 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.84 0.856 . . . . 0.0 111.13 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 49' ' ' LEU . 83.6 mt -119.62 161.06 21.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.503 0.721 . . . . 0.0 109.298 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.75 126.36 8.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.414 0.286 . . . . 0.0 111.549 -176.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 35.41 91.99 Favored Glycine 0 C--N 1.353 1.498 0 O-C-N 123.871 0.732 . . . . 0.0 113.622 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -106.34 -165.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.325 1.45 . . . . 0.0 109.602 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.64 173.7 6.58 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.173 0.442 . . . . 0.0 110.935 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.95 -19.03 65.21 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 115.962 -0.563 . . . . 0.0 114.085 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.25 -47.28 80.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.75 -40.82 88.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.851 0.86 . . . . 0.0 110.76 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.516 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.6 mm -61.23 -56.68 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.06 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.95 68.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.946 0.498 . . . . 0.0 111.638 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.11 71.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.178 0.591 . . . . 0.0 111.167 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.435 HD22 HD13 ' A' ' 49' ' ' LEU . 1.7 tp -82.0 -47.93 12.07 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 122.173 0.189 . . . . 0.0 111.467 172.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.25 -27.21 67.05 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.72 -35.44 80.13 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 60.7 mtp85 -74.75 -49.97 19.06 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.706 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -61.81 -37.52 84.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.366 0.666 . . . . 0.0 111.648 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -70.98 -29.3 65.24 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.279 0.362 . . . . 0.0 111.302 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 30.2 ttm180 -63.72 -47.93 79.13 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.286 0.634 . . . . 0.0 110.271 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.67 -54.78 16.77 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -148.18 105.66 3.66 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.905 0.882 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.5 t -76.91 -1.81 30.39 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.42 3.76 4.47 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -76.56 155.46 33.62 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.537 0.684 . . . . 0.0 111.627 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.413 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 21.6 m95 -111.97 131.61 55.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 114.313 -1.312 . . . . 0.0 107.997 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 21.9 t -112.17 126.53 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.39 122.22 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 123.157 0.583 . . . . 0.0 109.68 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 13.9 pt-20 -86.81 106.6 17.82 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 25.7 pt -107.47 147.76 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -120.27 125.68 48.71 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.563 HG21 HD11 ' A' ' 109' ' ' LEU . 8.8 t -172.76 166.25 5.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.668 1.187 . . . . 0.0 108.609 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.79 ' HB3' HH22 ' A' ' 43' ' ' ARG . 11.6 p-10 -102.07 -36.48 8.56 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 165.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -95.3 98.35 10.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.994 0.917 . . . . 0.0 109.964 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 tp -81.15 -31.49 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.028 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.81 -18.76 66.7 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 114.535 0.574 . . . . 0.0 114.535 -170.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -86.52 -24.76 25.41 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.563 HD11 HG21 ' A' ' 103' ' ' THR . 1.9 pp -126.5 4.99 6.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -167.4 132.96 2.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.226 1.011 . . . . 0.0 109.149 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 15.4 m -95.21 129.85 42.17 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.643 0.777 . . . . 0.0 110.925 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.43 139.77 48.16 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.736 0.814 . . . . 0.0 111.486 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.1 m -79.61 -28.94 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.084 0.953 . . . . 0.0 110.289 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.2 -53.92 21.47 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.048 0.939 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 . . . . . 0 CA--C 1.552 1.051 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.025 179.732 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 121.099 0.476 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -146.53 -178.37 6.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.804 1.241 . . . . 0.0 109.551 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.04 155.61 39.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.592 0.357 . . . . 0.0 110.331 173.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -60.14 -36.24 77.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.337 1.055 . . . . 0.0 110.545 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.29 -51.8 67.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.452 1.101 . . . . 0.0 110.98 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.0 tpt -68.61 -23.74 64.49 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.264 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -69.86 -46.3 65.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.26 -43.67 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 50.3 m -54.62 -54.15 45.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.396 1.06 . . . . 0.0 109.957 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.67 -37.78 88.65 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.555 0.742 . . . . 0.0 112.019 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 110' ' ' LEU . 26.0 tp -58.6 -43.56 89.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.562 1.545 . . . . 0.0 111.139 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 23' ' ' ALA . 79.7 mt -64.67 -38.36 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.465 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.6 mpt_? -73.75 -26.16 60.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 122.112 -0.368 . . . . 0.0 110.665 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.5 mtp180 -66.11 -44.44 84.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.051 0.54 . . . . 0.0 110.706 175.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -70.46 -42.41 78.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.08 -29.23 68.94 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.858 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -29.01 65.87 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.083 0.553 . . . . 0.0 111.224 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.66 4.57 52.39 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.69 0.796 . . . . 0.0 112.086 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.15 39.34 32.31 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-O 120.955 0.197 . . . . 0.0 113.117 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.2 175.25 18.96 Favored Glycine 0 N--CA 1.466 0.684 0 C-N-CA 123.989 0.804 . . . . 0.0 111.539 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 91.0 t80 -111.15 155.09 23.4 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.144 0.578 . . . . 0.0 110.161 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -156.9 157.75 35.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.694 0.798 . . . . 0.0 110.918 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.23 135.81 2.64 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.333 1.021 . . . . 0.0 109.125 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 t -81.36 106.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 39' ' ' ARG . 43.2 mt-10 -74.6 -54.11 8.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.796 0.438 . . . . 0.0 110.36 176.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -119.38 146.95 44.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 0.0 110.214 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.56 149.1 38.74 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.25 1.02 . . . . 0.0 109.697 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.45 -138.07 4.06 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.152 168.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.88 144.79 34.6 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.156 0.582 . . . . 0.0 111.221 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.47 -60.4 2.46 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 123.623 0.769 . . . . 0.0 112.199 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.12 -41.12 10.12 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.972 0.509 . . . . 0.0 111.504 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.2 13.54 34.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.692 0.797 . . . . 0.0 112.037 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.16 148.48 22.31 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -79.19 164.94 23.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -141.6 115.03 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 61.6 m-85 -114.77 112.67 23.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.56 0.744 . . . . 0.0 109.749 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.4 129.17 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.215 1.006 . . . . 0.0 109.068 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HD3' ' OE1' ' A' ' 26' ' ' GLU . 8.3 ptm180 -112.82 121.74 45.61 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.876 0.87 . . . . 0.0 109.564 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.4 tt0 -102.8 121.42 42.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.6 0.76 . . . . 0.0 111.046 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 52.0 ttt180 -81.67 114.02 20.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.504 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.8 mm? -72.23 166.42 22.45 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 0.0 111.182 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -54.84 -30.16 56.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.919 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.07 -38.11 12.39 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.432 0.293 . . . . 0.0 111.074 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.34 1.23 Allowed Glycine 0 C--N 1.342 0.908 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.495 ' NH1' ' HB3' ' A' ' 78' ' ' GLU . 29.5 mmt180 -68.28 168.47 12.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.552 0.341 . . . . 0.0 111.383 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.4 mt-10 -138.75 152.38 47.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.74 0.781 . . . . 0.0 111.237 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.504 ' ND2' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -106.16 166.82 10.24 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.426 1.09 . . . . 0.0 108.771 168.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -136.36 140.79 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 174.236 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 47.3 m-85 -129.17 146.98 50.98 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.571 1.148 . . . . 0.0 108.125 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.55 168.49 27.31 Favored Glycine 0 N--CA 1.468 0.788 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.774 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.23 124.37 12.86 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 122.605 2.204 . . . . 0.0 111.166 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.68 0 C-N-CA 123.309 0.643 . . . . 0.0 110.615 -179.848 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.686 0 CA-C-O 121.246 0.546 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -81.03 106.86 13.36 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.127 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -91.6 148.13 22.5 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 172.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.0 m-85 -99.85 176.19 5.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.395 0.678 . . . . 0.0 110.902 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -139.36 168.85 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.799 1.64 . . . . 0.0 107.839 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -96.56 107.3 19.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 41.8 mmt-85 -68.14 -59.81 2.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.332 0.653 . . . . 0.0 109.676 175.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.06 159.17 29.03 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.723 0.809 . . . . 0.0 110.438 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.22 118.87 7.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.911 0.484 . . . . 0.0 110.714 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.443 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.18 29.63 68.42 Favored Glycine 0 C--N 1.349 1.287 0 O-C-N 123.63 0.581 . . . . 0.0 114.056 172.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.55 150.13 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.448 1.099 . . . . 0.0 109.813 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 11.9 pt-20 -72.7 169.95 15.56 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.882 0.373 . . . . 0.0 111.823 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.17 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 114.933 -1.03 . . . . 0.0 115.135 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.9 -51.03 64.16 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.12 -36.9 84.38 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.844 0.858 . . . . 0.0 111.355 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.47 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.9 mm -58.96 -55.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.944 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.44 68.22 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.647 0.779 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.84 75.22 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.381 0.672 . . . . 0.0 111.167 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -82.34 -41.11 20.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.723 0.238 . . . . 0.0 111.166 173.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -55.91 -32.1 63.46 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.191 0.596 . . . . 0.0 110.881 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -34.15 72.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.862 0.726 . . . . 0.0 110.425 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -73.59 -48.0 36.08 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.375 0.607 . . . . 0.0 110.094 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.11 -34.35 68.54 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.23 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.1 ptt180 -71.24 -30.07 65.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 123.479 0.487 . . . . 0.0 111.574 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.73 -49.37 78.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.768 0.827 . . . . 0.0 109.739 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.96 -54.26 10.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.403 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -135.2 102.46 5.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.108 0.563 . . . . 0.0 109.967 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -71.26 -1.87 14.17 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.889 0.876 . . . . 0.0 110.648 171.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -70.46 0.85 5.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.974 0.91 . . . . 0.0 112.258 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.0 pt? -76.89 146.77 37.44 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.34 0.59 . . . . 0.0 110.977 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.45 125.74 51.33 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -99.18 115.17 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.84 117.08 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -85.68 107.94 17.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -103.58 160.27 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.2 tm-20 -143.81 107.82 4.72 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -172.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 t -170.23 163.98 8.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.672 0.789 . . . . 0.0 110.461 -171.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.07 -48.07 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.991 0.917 . . . . 0.0 110.251 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.81 150.97 26.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.363 0.665 . . . . 0.0 110.333 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.481 HG12 HD11 ' A' ' 112' ' ' LEU . 10.3 tp -111.3 -35.7 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.117 0.567 . . . . 0.0 111.009 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.78 66.17 3.38 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 123.493 0.496 . . . . 0.0 113.106 -172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.9 t -175.04 -35.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.084 1.353 . . . . 0.0 108.767 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -115.41 -4.42 12.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.653 0.781 . . . . 0.0 111.869 -174.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 12' ' ' LEU . 60.0 tp -156.63 150.36 24.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.503 1.121 . . . . 0.0 108.171 171.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.5 m -108.99 131.34 55.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.178 0.591 . . . . 0.0 110.708 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 HG12 ' A' ' 106' ' ' ILE . 16.6 mt -126.87 161.98 26.99 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.521 1.128 . . . . 0.0 109.827 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.3 0.28 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 110.405 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -103.98 -55.22 2.41 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.599 0.76 . . . . 0.0 110.403 -169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 118.881 -0.581 . . . . 0.0 110.11 176.15 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 67' ' ' GLU . 90.5 mtt180 . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -141.1 -169.14 2.77 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.654 0.782 . . . . 0.0 111.294 -170.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.9 ptpt -95.7 175.53 6.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 175.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.617 ' HB3' HD11 ' A' ' 36' ' ' ILE . 9.4 m -60.77 -48.09 83.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.599 1.16 . . . . 0.0 112.637 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.39 -37.77 87.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.641 0.777 . . . . 0.0 111.034 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.6 tpt -73.52 -23.95 60.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.139 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' A' ' 3' ' ' LEU . 61.2 t80 -75.58 -51.97 11.65 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.45 -39.15 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 123.879 0.737 . . . . 0.0 111.572 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 51.3 p -66.31 -50.19 64.47 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.32 0.648 . . . . 0.0 110.63 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.09 -30.67 71.78 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.014 0.525 . . . . 0.0 111.677 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.28 -41.34 96.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.179 1.392 . . . . 0.0 111.023 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.1 mt -67.18 -35.21 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.081 176.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.0 mpt_? -72.5 -26.41 61.77 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.551 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 61.7 mtp180 -67.57 -45.07 76.64 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.834 0.453 . . . . 0.0 110.415 175.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 HD13 ' A' ' 109' ' ' LEU . 6.8 m -71.32 -43.79 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 -175.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -66.67 -28.18 68.26 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.342 0.657 . . . . 0.0 110.826 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -30.97 71.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.055 0.542 . . . . 0.0 111.11 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.48 57.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.649 0.78 . . . . 0.0 112.085 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.75 46.78 7.05 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.15 179.16 17.06 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.662 0.648 . . . . 0.0 112.056 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.6 t80 -115.39 154.74 28.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.706 0.802 . . . . 0.0 109.517 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 13' ' ' ILE . . . -163.13 165.73 24.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.051 0.54 . . . . 0.0 111.985 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.02 138.34 0.25 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.851 1.26 . . . . 0.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 99' ' ' VAL . 95.2 t -80.72 115.13 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 122.809 0.443 . . . . 0.0 110.269 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.33 -59.17 2.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.949 0.899 . . . . 0.0 110.412 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -107.95 142.37 38.16 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.56 0.744 . . . . 0.0 110.288 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -119.24 142.15 48.29 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.121 0.968 . . . . 0.0 109.768 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.15 -138.8 4.31 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.382 172.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.71 124.12 25.39 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.622 0.769 . . . . 0.0 110.433 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.01 -37.08 83.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 -171.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.05 -60.35 2.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.136 0.574 . . . . 0.0 112.301 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.7 18.23 19.86 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -166.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.06 151.74 42.76 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 113.784 0.273 . . . . 0.0 113.784 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.51 152.96 35.89 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 5' ' ' SER . 33.9 mm -127.03 122.94 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.807 -0.558 . . . . 0.0 109.754 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.4 m-85 -122.11 135.54 54.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.898 1.279 . . . . 0.0 108.577 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.59 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.05 0.54 . . . . 0.0 109.748 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 9.1 ptp180 -109.86 110.77 21.84 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.488 0.715 . . . . 0.0 109.073 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 tp60 -80.62 109.58 15.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.252 1.021 . . . . 0.0 109.559 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.06 111.76 23.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.627 0.771 . . . . 0.0 110.004 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.14 145.24 31.15 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.993 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -48.36 -28.88 3.45 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.467 172.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.93 -9.04 57.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.785 0.834 . . . . 0.0 112.392 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.02 60.89 Favored Glycine 0 C--N 1.343 0.92 0 O-C-N 123.14 0.275 . . . . 0.0 112.564 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -92.25 153.64 19.13 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 32.1 mt-10 -141.02 141.0 34.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.793 0.837 . . . . 0.0 109.62 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -113.28 131.4 55.94 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 86' ' ' LEU . 16.8 tp -100.06 143.73 29.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -127.23 156.59 41.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.173 0.989 . . . . 0.0 109.576 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.34 165.05 26.14 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -81.78 105.02 1.49 Allowed 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 122.296 1.997 . . . . 0.0 109.927 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' A' ' 70' ' ' PHE . . . . . . . . 0 C--O 1.249 1.051 0 C-N-CA 122.813 0.445 . . . . 0.0 111.406 -173.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 2' ' ' ARG . 48.3 tt0 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 119.703 -0.189 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -77.22 125.37 29.22 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -81.34 166.12 20.75 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.47 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.6 m-85 -102.36 173.94 6.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.056 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -141.48 166.64 24.2 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.206 1.403 . . . . 0.0 108.644 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -103.27 109.85 21.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.918 0.487 . . . . 0.0 109.762 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -71.36 -53.17 15.03 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.467 0.707 . . . . 0.0 110.05 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.36 160.16 37.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.323 1.049 . . . . 0.0 109.035 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.27 116.66 6.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.627 0.371 . . . . 0.0 111.36 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.99 31.74 78.87 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 123.786 0.679 . . . . 0.0 113.913 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.96 -170.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.82 0.848 . . . . 0.0 109.779 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 11.0 pt-20 -98.15 165.97 11.64 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.784 0.434 . . . . 0.0 110.698 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.68 69.15 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.604 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 8.4 tp10 -55.9 -46.96 78.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.196 0.998 . . . . 0.0 110.708 171.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 21.7 mm-40 -69.99 -41.1 74.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.056 0.543 . . . . 0.0 110.906 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 49' ' ' LEU . 34.2 mm -56.84 -56.25 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.03 71.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.783 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.44 94.21 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.363 0.665 . . . . 0.0 111.186 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 1.1 tt -81.51 -36.39 29.26 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 49' ' ' LEU . 97.2 mt -56.87 -28.2 61.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.947 0.499 . . . . 0.0 110.802 175.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.64 -44.6 70.29 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 110.818 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 74.4 mtp180 -69.54 -39.54 77.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.245 0.618 . . . . 0.0 110.764 -175.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.9 -44.17 64.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.323 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -65.46 -29.4 70.07 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.974 0.416 . . . . 0.0 111.21 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.81 -32.1 72.39 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.688 0.795 . . . . 0.0 110.551 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -96.55 -24.47 16.04 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.654 0.782 . . . . 0.0 111.801 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.16 92.41 1.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.023 0.529 . . . . 0.0 110.602 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -73.95 -10.89 60.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.359 0.664 . . . . 0.0 110.65 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -81.07 14.56 2.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 112.349 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.3 160.64 24.14 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.044 0.449 . . . . 0.0 109.873 168.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -115.94 149.52 38.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 108.27 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 40.8 t -126.82 128.3 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 171.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 25' ' ' VAL . 21.6 t -116.56 127.0 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.2 pt-20 -85.48 112.44 20.9 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -112.05 139.72 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.5 tm-20 -124.76 107.57 11.07 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.5 t -162.49 164.85 26.8 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.178 0.591 . . . . 0.0 110.694 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.0 -54.72 6.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.813 0.845 . . . . 0.0 111.115 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -111.82 148.82 32.77 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.449 0.7 . . . . 0.0 110.647 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 40' ' ' GLN . 8.2 tp -106.96 -37.16 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.101 0.56 . . . . 0.0 112.142 -170.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -37.62 94.5 Favored Glycine 0 C--N 1.348 1.211 0 N-CA-C 113.924 0.329 . . . . 0.0 113.924 -167.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.4 t -66.27 -28.0 68.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.785 0.834 . . . . 0.0 112.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.593 HD13 HG12 ' A' ' 16' ' ' VAL . 2.0 pp -121.9 1.88 9.91 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.6 tp -157.99 137.36 11.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.634 0.774 . . . . 0.0 108.986 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.1 m -104.32 121.38 43.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.238 0.615 . . . . 0.0 111.361 -172.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mt -129.08 153.35 47.73 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.459 0.703 . . . . 0.0 111.4 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 -30.22 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.664 0.786 . . . . 0.0 110.05 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.42 -43.71 20.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 111.011 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 . . . . . 0 CA--C 1.547 0.854 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 175.041 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 75.3 mtm180 . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.732 0.777 . . . . 0.0 111.537 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 7' ' ' MET . 15.8 mt -106.44 166.51 10.49 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.186 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 18.6 ptpt -89.66 178.51 6.25 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 167.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.574 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.2 m -56.26 -47.52 78.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.522 0.729 . . . . 0.0 111.746 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.58 -51.61 68.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.847 1.259 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.6 tpt -73.3 -26.5 61.09 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.807 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -74.05 -40.97 62.45 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.055 0.542 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.09 -38.11 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 123.742 0.651 . . . . 0.0 110.671 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.3 m -55.7 -39.3 70.83 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.364 0.665 . . . . 0.0 110.528 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.31 63.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.302 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -42.31 94.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.802 1.241 . . . . 0.0 111.365 -171.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.6 mp -54.21 -50.91 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 O-C-N 123.799 0.687 . . . . 0.0 109.779 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -72.42 -24.77 61.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.814 0.446 . . . . 0.0 111.289 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.2 -45.09 96.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 111.043 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 2.9 m -74.77 -34.99 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.628 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.31 -28.3 67.05 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.287 0.635 . . . . 0.0 110.597 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.01 70.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.031 0.532 . . . . 0.0 110.748 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.39 -19.16 30.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.791 0.836 . . . . 0.0 111.549 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.14 48.94 Favored Glycine 0 C--N 1.347 1.142 0 C-N-CA 122.892 0.282 . . . . 0.0 113.625 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.52 -160.39 25.48 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.157 0.408 . . . . 0.0 113.317 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -132.68 155.28 49.08 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.542 1.137 . . . . 0.0 108.737 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.12 158.4 36.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.842 0.457 . . . . 0.0 111.241 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 128.83 1.06 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.257 0.973 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.12 99.66 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.61 -52.18 34.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.662 0.785 . . . . 0.0 111.34 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 47.9 tttm -118.09 147.33 43.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.395 0.678 . . . . 0.0 109.462 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -131.7 119.49 21.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.39 -122.8 4.1 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.56 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.63 126.37 35.6 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.47 -50.51 73.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.215 1.006 . . . . 0.0 112.463 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.71 -62.47 1.48 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.2 0.6 . . . . 0.0 111.31 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.03 4.14 49.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -166.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.08 174.53 49.25 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 -175.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.88 162.24 13.5 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.872 0.869 . . . . 0.0 109.009 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 5' ' ' SER . 40.9 mm -129.93 112.47 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.3 m-85 -113.77 113.75 25.38 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.602 0.761 . . . . 0.0 109.602 173.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.25 140.52 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.514 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.14 112.12 17.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.594 0.758 . . . . 0.0 109.41 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' HG13 ' A' ' 101' ' ' ILE . 46.7 tt0 -80.46 146.21 31.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.471 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 ttm180 -123.01 129.45 51.52 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.653 0.781 . . . . 0.0 109.513 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.495 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.9 mm? -97.92 147.85 24.04 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.273 1.029 . . . . 0.0 110.981 -174.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.89 -19.11 63.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.623 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.36 -21.88 61.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.067 0.947 . . . . 0.0 111.161 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.28 22.84 11.05 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.895 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -111.47 -178.4 3.44 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.559 0.743 . . . . 0.0 109.895 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 29.9 mt-10 -149.45 159.0 44.67 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.933 1.293 . . . . 0.0 110.025 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.495 ' ND2' HD21 ' A' ' 42' ' ' LEU . 23.4 m-80 -125.09 170.67 10.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.346 1.058 . . . . 0.0 108.534 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -139.35 141.68 37.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.131 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 46.9 m-85 -131.95 140.13 48.9 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.398 1.079 . . . . 0.0 109.302 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.67 160.61 24.58 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.93 108.65 2.35 Favored 'Trans proline' 0 C--N 1.364 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 110.656 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.908 0 C-N-CA 123.647 0.779 . . . . 0.0 110.907 -177.641 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 2' ' ' ARG . 32.0 tt0 . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.687 0.279 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -87.54 131.92 34.22 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 110.253 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -85.06 156.93 20.88 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.03 174.89 5.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.825 0.45 . . . . 0.0 110.656 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.06 151.82 45.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.741 1.217 . . . . 0.0 108.703 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.9 m -84.95 104.21 14.69 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 26.7 mmm180 -65.29 -63.79 1.02 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.853 0.861 . . . . 0.0 109.765 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 49' ' ' LEU . 57.7 mt -118.21 155.67 30.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.402 1.081 . . . . 0.0 108.83 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.94 135.98 13.84 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.51 26.8 72.01 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.986 0.803 . . . . 0.0 113.404 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 74' ' ' LEU . 30.5 m -114.24 173.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.351 1.06 . . . . 0.0 110.341 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.8 pt-20 -86.24 166.12 15.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.84 0.456 . . . . 0.0 110.625 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.99 63.84 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 123.859 0.724 . . . . 0.0 114.128 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.9 -40.22 75.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.08 0.552 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 42.1 mm-40 -63.89 -40.89 97.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.441 0.696 . . . . 0.0 110.058 174.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 ' HG ' ' A' ' 49' ' ' LEU . 49.5 mm -59.79 -57.93 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.184 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.15 -20.05 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.443 0.697 . . . . 0.0 111.711 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.22 70.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.469 0.708 . . . . 0.0 111.417 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -82.98 -45.64 13.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.344 0.258 . . . . 0.0 111.549 170.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.16 -29.07 63.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.72 -35.2 74.81 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.398 0.437 . . . . 0.0 111.012 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.18 -46.6 41.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.795 0.838 . . . . 0.0 110.421 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.11 -42.47 96.88 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.239 0.616 . . . . 0.0 111.003 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -68.57 -28.54 67.04 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.621 0.576 . . . . 0.0 111.36 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -62.81 -46.17 89.2 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.678 0.791 . . . . 0.0 109.729 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -76.66 -45.25 30.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.126 0.57 . . . . 0.0 110.846 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.71 104.45 3.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.973 0.909 . . . . 0.0 110.012 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 t -67.72 -25.27 65.57 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.043 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -67.99 15.06 0.05 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.0 26.67 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.007 0.523 . . . . 0.0 109.799 165.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -118.55 128.13 54.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.554 1.142 . . . . 0.0 108.445 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 43.4 t -101.74 129.95 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.37 121.31 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -85.64 132.66 34.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.2 pt -129.9 124.3 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -101.23 102.92 13.91 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.7 t -164.5 156.48 16.17 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.75 0.82 . . . . 0.0 109.378 -174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.62 -28.49 15.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.035 0.445 . . . . 0.0 110.375 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -103.48 152.08 22.08 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.62 1.168 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -126.5 -38.79 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -43.07 99.76 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.371 0.419 . . . . 0.0 113.107 -166.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.7 t -65.22 -23.66 67.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.291 1.036 . . . . 0.0 112.93 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -120.25 -0.94 10.34 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.384 0.673 . . . . 0.0 112.486 -172.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.406 HD23 HD11 ' A' ' 106' ' ' ILE . 56.6 tp -170.55 124.05 0.68 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.127 0.971 . . . . 0.0 109.221 176.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -88.12 134.49 33.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.322 0.649 . . . . 0.0 111.0 -174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 106' ' ' ILE . 30.8 mt -132.57 149.16 52.36 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.948 0.899 . . . . 0.0 111.386 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.31 -20.91 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.157 0.983 . . . . 0.0 110.287 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -87.13 -69.56 0.67 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.165 0.586 . . . . 0.0 109.969 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 . . . . . 0 N--CA 1.483 1.217 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.419 176.428 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 . . . . . 0 C--O 1.241 0.628 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.26 175.36 12.72 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.261 1.024 . . . . 0.0 109.405 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -69.27 165.24 21.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.579 0.228 . . . . 0.0 110.534 175.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.618 ' HB3' HD11 ' A' ' 36' ' ' ILE . 20.1 m -62.23 -34.76 77.11 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 110.673 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.3 tm-20 -65.77 -50.17 65.71 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.759 1.224 . . . . 0.0 110.28 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.548 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 7.9 tpt -67.63 -21.53 65.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.047 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.1 -47.92 40.21 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' GLU . 17.6 m -66.16 -37.58 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.583 0.552 . . . . 0.0 110.951 -177.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -63.58 -47.02 83.21 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.497 0.719 . . . . 0.0 110.134 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.11 -33.56 76.06 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.187 0.595 . . . . 0.0 111.316 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 110' ' ' LEU . 24.9 tp -63.3 -43.79 96.86 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.067 1.347 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 25' ' ' VAL . 80.2 mt -60.73 -40.11 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.871 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -26.22 61.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 76.0 mtp180 -69.53 -43.18 73.53 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.94 0.496 . . . . 0.0 110.512 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 109' ' ' LEU . 10.4 m -71.56 -40.71 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.692 -176.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 51.6 m-85 -69.47 -27.9 65.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.008 0.523 . . . . 0.0 110.916 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.38 67.9 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.072 0.549 . . . . 0.0 111.32 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.88 4.66 40.42 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.842 0.857 . . . . 0.0 111.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.83 -12.13 68.3 Favored Glycine 0 C--N 1.353 1.51 0 N-CA-C 114.16 0.424 . . . . 0.0 114.16 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.38 170.26 52.52 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.008 0.337 . . . . 0.0 113.63 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -107.6 159.11 16.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.878 1.271 . . . . 0.0 109.145 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.57 156.79 26.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.39 0.676 . . . . 0.0 111.462 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.02 132.55 1.74 Allowed 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.33 1.019 . . . . 0.0 109.71 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 13' ' ' ILE . 59.5 t -77.18 107.91 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.256 0.622 . . . . 0.0 109.905 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.66 -61.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 0.0 110.223 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -102.49 145.41 29.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.627 0.771 . . . . 0.0 110.076 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -144.17 123.53 13.08 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.525 0.73 . . . . 0.0 110.531 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.01 -123.54 2.65 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-O 119.921 -0.377 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.28 127.15 32.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.642 0.777 . . . . 0.0 110.588 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.54 -46.98 35.51 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.158 0.583 . . . . 0.0 112.316 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.0 -55.42 4.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.913 0.485 . . . . 0.0 111.029 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.76 16.39 25.99 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.83 154.83 34.44 Favored Glycine 0 C--N 1.347 1.143 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.63 154.41 24.94 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 5' ' ' SER . 35.0 mm -130.71 119.75 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 78.9 m-85 -116.24 114.84 24.95 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.381 1.073 . . . . 0.0 109.053 174.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.18 132.41 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -112.38 110.52 20.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.557 ' HA ' HG13 ' A' ' 101' ' ' ILE . 45.4 tt0 -80.87 138.28 36.18 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 39.9 ttt85 -112.25 115.1 28.25 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.24 145.04 55.59 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -17.55 21.98 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.02 -38.83 24.42 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.65 -28.19 0.67 Allowed Glycine 0 C--N 1.35 1.359 0 O-C-N 123.324 0.39 . . . . 0.0 112.937 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.5 176.56 6.72 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.063 0.545 . . . . 0.0 111.832 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 46.0 mt-10 -144.91 166.66 24.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.193 0.997 . . . . 0.0 111.56 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -140.13 143.06 36.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.805 1.242 . . . . 0.0 107.9 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 82' ' ' ILE . 14.4 tp -106.95 144.23 33.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -131.52 149.98 52.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.484 1.113 . . . . 0.0 109.114 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.0 168.76 26.9 Favored Glycine 0 N--CA 1.469 0.884 0 CA-C-O 119.297 -0.724 . . . . 0.0 111.878 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.63 109.83 2.98 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.71 2.274 . . . . 0.0 111.543 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 123.053 0.541 . . . . 0.0 111.296 -178.016 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 120.901 0.382 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -94.73 151.19 19.47 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.386 0.674 . . . . 0.0 110.05 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -121.28 151.27 40.23 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.45 175.48 5.56 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.29 0.636 . . . . 0.0 111.45 -172.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.79 162.73 34.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.7 1.2 . . . . 0.0 109.369 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 32.9 m -98.99 106.32 18.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.411 0.684 . . . . 0.0 109.663 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -76.74 -53.45 7.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.63 0.772 . . . . 0.0 110.512 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.6 mt -126.92 161.01 29.31 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.131 0.972 . . . . 0.0 108.635 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.91 136.8 12.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.992 0.517 . . . . 0.0 111.333 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.57 22.33 67.76 Favored Glycine 0 C--N 1.354 1.564 0 O-C-N 123.674 0.608 . . . . 0.0 114.14 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.9 m -96.11 -169.04 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.09 0.956 . . . . 0.0 110.013 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.3 pt-20 -104.73 166.84 10.12 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.93 -17.62 58.73 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.367 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.81 -34.24 60.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.071 0.548 . . . . 0.0 110.748 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 12.6 mm-40 -69.88 -38.05 76.23 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 175.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 49' ' ' LEU . 45.3 mm -57.96 -56.07 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.377 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.24 66.99 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.908 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.99 79.65 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.838 0.711 . . . . 0.0 111.712 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.52 -43.24 15.96 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 117.564 0.166 . . . . 0.0 111.279 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 73.8 mt -50.24 -40.45 47.8 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.387 0.675 . . . . 0.0 111.428 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.72 -33.37 75.49 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.422 0.689 . . . . 0.0 111.826 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -73.54 -53.28 10.93 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 110.127 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.17 -43.23 92.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.995 0.918 . . . . 0.0 111.409 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -70.46 -30.82 67.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 123.441 0.463 . . . . 0.0 111.92 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -36.01 81.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.773 0.829 . . . . 0.0 110.525 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.38 -61.5 1.93 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.971 0.509 . . . . 0.0 109.793 171.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.39 103.97 5.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.622 0.769 . . . . 0.0 109.721 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -78.95 -0.75 32.23 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.036 1.334 . . . . 0.0 112.834 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.69 6.31 5.04 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.36 161.68 27.85 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.136 0.493 . . . . 0.0 110.179 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -115.73 143.59 45.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.304 1.042 . . . . 0.0 108.779 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 97.5 t -119.26 117.95 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.1 t -112.44 119.44 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.0 pt-20 -86.16 107.67 17.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.557 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.1 pt -104.94 134.13 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.37 110.27 19.11 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -159.28 159.38 33.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 111.385 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.54 -44.68 33.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.93 0.892 . . . . 0.0 110.648 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.23 176.96 5.07 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.738 0.815 . . . . 0.0 109.745 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tp -129.03 -32.65 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.52 -35.66 92.33 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -165.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -26.34 60.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.959 0.504 . . . . 0.0 112.224 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 2.7 pp -118.11 -3.33 11.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -167.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 12' ' ' LEU . 48.4 tp -155.74 136.35 13.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -95.76 127.38 41.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.028 0.531 . . . . 0.0 110.915 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 mt -130.26 149.94 51.73 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.584 0.753 . . . . 0.0 111.72 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.46 -30.51 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.153 0.981 . . . . 0.0 109.725 174.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.02 -61.64 1.82 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.579 0.752 . . . . 0.0 110.901 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 29.6 mm-40 . . . . . 0 CA--C 1.551 1.008 0 O-C-N 123.717 0.636 . . . . 0.0 111.283 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.467 0.651 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.519 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -132.38 -176.62 4.14 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.933 0.893 . . . . 0.0 110.726 -173.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 98.5 mttt -72.05 158.09 36.59 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.234 170.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' ILE . 10.5 m -60.08 -35.07 74.39 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.154 0.982 . . . . 0.0 110.474 172.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 34.1 tt0 -60.29 -51.02 71.31 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.539 1.135 . . . . 0.0 111.402 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.519 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.4 tpt -73.21 -25.69 60.86 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.833 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.49 -53.91 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 124.005 0.816 . . . . 0.0 111.016 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 22.7 m -55.94 -48.37 75.86 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.014 0.821 . . . . 0.0 110.21 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -62.68 -39.28 93.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.536 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.96 -42.95 95.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.353 1.061 . . . . 0.0 109.865 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.0 mt -62.39 -40.51 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.347 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 10' ' ' SER . 4.8 mpt_? -68.81 -30.36 68.91 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.986 0.514 . . . . 0.0 111.31 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 97.6 mtt180 -66.98 -46.18 75.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.393 0.677 . . . . 0.0 110.6 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.597 HG12 HD13 ' A' ' 109' ' ' LEU . 5.3 m -71.23 -41.61 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -68.26 -28.95 67.66 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.145 0.578 . . . . 0.0 110.763 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.71 77.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.033 0.533 . . . . 0.0 110.808 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.59 -5.27 59.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.706 0.802 . . . . 0.0 112.162 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.71 -3.84 61.16 Favored Glycine 0 C--N 1.353 1.493 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.79 -170.56 44.53 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.393 0.521 . . . . 0.0 113.691 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -124.91 159.18 31.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 0.0 109.096 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.58 158.97 36.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.722 0.809 . . . . 0.0 110.462 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.75 120.18 1.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.254 0.971 . . . . 0.0 109.383 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.53 104.05 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 121.678 0.752 . . . . 0.0 109.984 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.34 -59.96 2.57 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -100.15 147.01 26.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.34 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.3 tttm -127.98 118.1 22.93 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.837 0.855 . . . . 0.0 109.258 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 -139.37 7.82 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.251 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.32 144.93 39.9 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.148 0.579 . . . . 0.0 111.253 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 65.6 mt-10 -67.54 -63.16 1.12 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.435 -176.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.77 -34.07 14.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.725 0.41 . . . . 0.0 111.934 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.1 27.6 9.45 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.233 0.613 . . . . 0.0 111.637 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.9 142.15 16.8 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 116.748 -0.206 . . . . 0.0 113.024 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.42 156.76 32.87 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 5' ' ' SER . 31.2 mm -137.95 105.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -109.56 112.1 24.0 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.84 146.52 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.669 1.188 . . . . 0.0 108.35 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 10.1 ptp85 -116.97 125.64 51.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.629 HE21 HG23 ' A' ' 103' ' ' THR . 2.5 tt0 -83.72 141.43 31.46 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -120.38 114.03 21.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 48' ' ' ASN . 3.1 mm? -69.57 148.95 48.71 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.435 0.459 . . . . 0.0 110.025 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -60.58 -19.63 58.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.203 1.001 . . . . 0.0 111.49 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.92 -51.92 42.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.358 0.663 . . . . 0.0 110.384 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.07 -13.95 2.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.896 -0.593 . . . . 0.0 113.165 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -71.98 163.29 28.12 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.264 0.532 . . . . 0.0 109.99 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.54 156.03 47.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.898 0.479 . . . . 0.0 111.201 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.452 HD21 HD21 ' A' ' 42' ' ' LEU . 18.0 m-80 -135.82 138.53 42.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.331 1.052 . . . . 0.0 108.71 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 82' ' ' ILE . 12.4 tp -101.8 143.94 31.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.556 0.743 . . . . 0.0 109.301 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -126.37 162.13 26.25 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.56 1.144 . . . . 0.0 110.415 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.43 168.45 32.64 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.84 115.78 4.26 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.745 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . . . . . . . . 0 N--CA 1.478 0.956 0 C-N-CA 122.564 0.345 . . . . 0.0 110.147 177.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -97.79 158.29 15.6 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.516 0.726 . . . . 0.0 109.813 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -99.62 159.92 14.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.1 m-85 -101.37 176.44 5.24 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.88 0.472 . . . . 0.0 110.46 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 14.7 pt-20 -137.61 159.39 42.1 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.347 1.059 . . . . 0.0 109.783 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -99.71 112.47 24.71 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -72.63 -50.84 22.53 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.47 0.652 . . . . 0.0 109.912 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -130.24 147.06 51.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 108.168 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.47 135.16 24.81 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.201 0.455 . . . . 0.0 112.121 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.65 44.41 96.9 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 124.306 1.004 . . . . 0.0 112.625 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.24 -178.36 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.666 1.187 . . . . 0.0 109.757 -175.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.23 168.17 10.59 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.097 0.559 . . . . 0.0 110.959 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.15 -25.68 69.81 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.939 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.9 -45.97 90.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.223 0.609 . . . . 0.0 110.32 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.71 -40.53 95.34 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.644 0.778 . . . . 0.0 111.122 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 HD13 ' A' ' 49' ' ' LEU . 31.0 mm -58.96 -56.09 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.75 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.2 68.06 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.882 0.873 . . . . 0.0 112.103 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.17 77.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.438 0.695 . . . . 0.0 111.438 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.13 -41.08 20.95 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.476 0.485 . . . . 0.0 111.278 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 80.9 mt -56.23 -32.2 64.23 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.803 0.441 . . . . 0.0 111.728 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -33.94 68.58 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.669 0.606 . . . . 0.0 110.492 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.91 -44.48 61.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.003 0.521 . . . . 0.0 109.898 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.85 -39.52 63.93 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.493 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -66.19 -28.94 69.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 123.27 0.356 . . . . 0.0 111.572 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -59.01 -43.9 91.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.998 0.919 . . . . 0.0 110.224 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -77.53 -51.29 10.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.26 0.624 . . . . 0.0 111.234 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -139.62 108.27 5.92 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.088 0.955 . . . . 0.0 109.789 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -78.08 -2.22 36.23 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.085 0.954 . . . . 0.0 111.822 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.7 2.04 7.3 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -77.31 150.47 35.24 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.389 0.614 . . . . 0.0 111.098 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.441 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 18.6 m95 -107.52 141.47 38.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.821 1.249 . . . . 0.0 107.706 172.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.97 116.62 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.11 113.11 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 8.1 pt-20 -90.03 108.14 19.55 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.083 0.468 . . . . 0.0 109.921 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . 29.5 pt -105.11 145.15 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.782 . . . . 0.0 109.722 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -118.65 116.64 27.02 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.629 HG23 HE21 ' A' ' 40' ' ' GLN . 9.8 t -159.23 153.67 24.09 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.966 0.412 . . . . 0.0 111.292 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -82.69 -38.15 23.8 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.17 0.988 . . . . 0.0 111.288 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.97 132.88 54.34 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.574 0.749 . . . . 0.0 109.258 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 112' ' ' LEU . 9.2 tp -95.17 -36.54 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 122.874 0.47 . . . . 0.0 112.258 -172.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.5 -41.16 98.57 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 -165.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.0 t -65.89 -27.19 68.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.229 1.012 . . . . 0.0 112.681 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.597 HD13 HG12 ' A' ' 16' ' ' VAL . 1.7 pp -117.85 -3.7 11.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.76 0.824 . . . . 0.0 112.009 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.6 tp -170.12 106.45 0.33 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.326 1.05 . . . . 0.0 108.736 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 m -85.56 132.68 34.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.63 0.772 . . . . 0.0 111.153 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.443 HD11 HG12 ' A' ' 106' ' ' ILE . 10.9 mt -127.85 147.83 50.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.635 1.174 . . . . 0.0 110.107 -171.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.73 -27.73 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.774 0.829 . . . . 0.0 110.285 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -67.76 -55.88 11.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.112 0.965 . . . . 0.0 110.282 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 . . . . . 0 CA--C 1.551 1.016 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.407 176.806 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -154.21 173.99 15.37 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.983 1.313 . . . . 0.0 108.886 -175.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.24 161.65 26.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.633 0.373 . . . . 0.0 110.928 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 36' ' ' ILE . 22.6 m -62.81 -30.29 71.36 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.802 0.841 . . . . 0.0 111.009 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.18 -52.85 63.08 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.685 0.794 . . . . 0.0 110.844 173.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.612 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.8 tpt -74.87 -22.86 58.42 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.94 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.51 -43.41 90.19 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.95 -51.26 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.045 0.841 . . . . 0.0 110.659 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 18.9 m -58.08 -37.92 75.4 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.046 0.841 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -73.15 -38.72 66.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.63 0.772 . . . . 0.0 110.874 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.1 -42.95 99.69 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.648 1.179 . . . . 0.0 109.45 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 23' ' ' ALA . 89.7 mt -60.46 -42.58 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.476 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 10' ' ' SER . 8.4 mpt_? -69.94 -28.66 65.75 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.017 0.527 . . . . 0.0 111.305 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 98.7 mtt180 -66.53 -42.3 87.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.241 0.616 . . . . 0.0 110.791 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 109' ' ' LEU . 4.4 m -72.56 -39.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.135 -175.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.63 -28.72 66.15 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.775 0.43 . . . . 0.0 110.451 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.27 73.87 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.843 0.457 . . . . 0.0 110.787 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.29 -16.62 36.96 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.746 0.818 . . . . 0.0 111.931 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.98 -16.23 28.02 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 122.982 0.325 . . . . 0.0 113.537 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.99 -176.64 41.17 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 114.22 0.448 . . . . 0.0 114.22 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -112.56 157.61 20.96 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.541 1.137 . . . . 0.0 109.544 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.1 157.42 32.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.548 0.739 . . . . 0.0 111.178 173.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.84 122.38 0.98 Allowed 'General case' 0 C--N 1.351 0.655 0 O-C-N 123.949 0.78 . . . . 0.0 110.142 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -85.83 102.07 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 121.578 0.704 . . . . 0.0 110.426 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.71 -61.24 1.94 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.616 1.167 . . . . 0.0 111.583 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 42.9 tttm -95.92 148.05 23.03 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.83 0.348 . . . . 0.0 110.489 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.5 tttm -125.1 148.02 48.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 109.908 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.86 -127.9 2.52 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.902 169.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.33 145.96 27.98 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.87 0.868 . . . . 0.0 111.543 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.54 -64.08 1.03 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 112.098 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -43.73 8.03 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.907 0.483 . . . . 0.0 111.124 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.15 -2.61 45.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.634 0.773 . . . . 0.0 112.966 -172.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.37 144.26 22.32 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-O 119.906 -0.386 . . . . 0.0 112.812 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -77.16 161.77 27.94 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 5' ' ' SER . 30.3 mm -132.41 115.68 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 84.2 m-85 -114.3 116.43 28.97 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.75 138.49 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.977 1.311 . . . . 0.0 109.407 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.657 HH22 HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -111.55 125.07 53.52 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 170.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.624 HE21 HG23 ' A' ' 103' ' ' THR . 4.7 tt0 -81.25 134.5 35.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 165.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 47.1 ttt85 -113.59 120.6 41.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 46' ' ' ARG . 71.3 mt -92.43 157.51 16.55 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.623 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -54.62 -30.93 56.31 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.183 1.393 . . . . 0.0 111.954 170.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -28.85 68.85 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.643 1.177 . . . . 0.0 111.802 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.96 37.07 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.683 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB2' HD12 ' A' ' 42' ' ' LEU . 33.5 mmt180 -87.8 164.38 15.96 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.217 0.607 . . . . 0.0 109.532 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.2 mt-10 -140.58 160.95 38.89 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.557 0.743 . . . . 0.0 110.054 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.417 HD22 ' HG2' ' A' ' 40' ' ' GLN . 9.0 m-80 -137.0 130.53 31.59 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -99.88 142.21 31.66 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -177.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 37.7 m-85 -130.19 134.17 47.1 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 124.376 1.071 . . . . 0.0 108.747 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.83 165.89 14.66 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.23 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 C-N-CA 122.165 1.91 . . . . 0.0 110.1 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 C-N-CA 123.112 0.565 . . . . 0.0 111.535 -172.537 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 . . . . . 0 C--O 1.244 0.806 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -82.92 135.82 34.78 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.963 0.411 . . . . 0.0 109.917 176.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.3 164.71 13.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.491 0.716 . . . . 0.0 109.693 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.96 173.12 6.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.79 148.01 50.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.638 1.175 . . . . 0.0 108.69 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -81.34 100.13 9.04 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 175.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.5 mmm180 -67.28 -59.39 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.682 0.793 . . . . 0.0 109.671 177.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -122.19 158.42 29.44 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.147 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.44 136.62 14.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.577 0.351 . . . . 0.0 111.199 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.3 22.56 71.14 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.892 0.745 . . . . 0.0 113.352 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.39 -166.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.368 1.067 . . . . 0.0 109.847 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.5 pt-20 -122.13 174.81 6.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.687 0.395 . . . . 0.0 110.765 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -23.63 63.33 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 124.012 0.82 . . . . 0.0 114.688 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.22 -49.0 75.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.894 0.478 . . . . 0.0 110.571 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -62.86 -39.81 95.54 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.002 0.814 . . . . 0.0 110.752 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.533 HG23 ' HG ' ' A' ' 49' ' ' LEU . 43.5 mm -59.5 -50.48 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.467 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.45 64.15 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.666 0.786 . . . . 0.0 111.79 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -31.79 72.61 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -80.75 -38.1 29.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.804 174.083 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.657 HD21 HH22 ' A' ' 39' ' ' ARG . 62.3 mt -51.14 -39.29 55.95 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.878 0.471 . . . . 0.0 111.941 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -32.53 70.98 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.867 0.729 . . . . 0.0 109.949 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -73.18 -41.67 63.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.476 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -77.41 -41.2 40.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.554 0.741 . . . . 0.0 111.764 -174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -66.88 -25.96 66.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 123.571 0.544 . . . . 0.0 111.39 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -55.6 -43.56 76.17 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.211 0.605 . . . . 0.0 111.111 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -89.64 -46.15 8.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.951 0.901 . . . . 0.0 111.624 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -136.8 96.84 3.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.939 1.296 . . . . 0.0 108.362 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -78.09 -2.8 39.11 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.97 14.83 3.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.244 0.618 . . . . 0.0 112.115 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 1.5 pp -73.81 156.33 37.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.65 0.38 . . . . 0.0 110.369 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.41 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m95 -116.07 128.01 55.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.182 0.993 . . . . 0.0 108.916 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.452 HG13 ' CZ ' ' A' ' 39' ' ' ARG . 53.1 t -97.89 117.09 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.79 126.59 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -93.14 143.73 25.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 168.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 43.1 pt -137.59 129.39 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -108.17 102.5 11.64 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.624 HG23 HE21 ' A' ' 40' ' ' GLN . 7.9 t -168.37 154.61 7.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.17 0.988 . . . . 0.0 108.876 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -89.92 -33.97 16.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.1 0.56 . . . . 0.0 110.442 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.57 109.98 21.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.915 0.886 . . . . 0.0 110.057 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -85.86 -33.72 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.974 0.509 . . . . 0.0 111.266 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.05 5.53 18.35 Favored Glycine 0 C--N 1.348 1.222 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -167.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -115.46 -9.59 12.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 117.875 0.838 . . . . 0.0 111.633 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -135.56 0.54 2.75 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.235 0.614 . . . . 0.0 112.247 -171.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 tp -165.49 128.66 2.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.268 1.027 . . . . 0.0 108.763 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.6 m -94.33 137.33 33.62 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.666 0.786 . . . . 0.0 110.754 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -130.64 148.02 52.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.442 1.097 . . . . 0.0 110.529 -173.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.8 m -77.95 -27.12 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.488 0.715 . . . . 0.0 110.213 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.17 -57.58 3.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 111.062 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 123.311 0.644 . . . . 0.0 111.432 -176.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.087 0.47 . . . . 0.0 111.893 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.551 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -91.92 174.07 7.52 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.969 0.508 . . . . 0.0 110.632 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.0 mtmm -68.08 162.21 25.13 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.875 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 36' ' ' ILE . 49.9 m -55.79 -42.89 76.25 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.463 1.105 . . . . 0.0 111.752 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.56 -44.3 74.78 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.519 0.728 . . . . 0.0 110.514 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.551 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.1 tpt -68.22 -24.36 64.91 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.488 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -76.48 -49.95 15.26 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 ' CE3' ' A' ' 97' ' ' TRP . 33.8 m -67.32 -36.51 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 123.615 0.572 . . . . 0.0 111.848 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m -62.92 -49.61 74.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.029 0.531 . . . . 0.0 109.634 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.41 -32.52 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.365 0.666 . . . . 0.0 111.499 177.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.48 -40.72 95.59 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.897 1.279 . . . . 0.0 111.14 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.529 HD11 HG23 ' A' ' 25' ' ' VAL . 95.8 mt -64.58 -36.92 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.518 176.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -74.15 -25.12 59.56 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.486 0.314 . . . . 0.0 110.899 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 70.2 mtp180 -66.39 -43.86 84.68 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.758 0.423 . . . . 0.0 110.318 174.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 109' ' ' LEU . 3.8 m -70.78 -38.64 73.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -71.45 -28.41 63.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.933 0.493 . . . . 0.0 110.739 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -30.03 70.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.893 0.477 . . . . 0.0 111.037 170.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.55 -19.9 28.76 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.559 0.743 . . . . 0.0 111.701 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.56 -4.73 37.28 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.895 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.46 -177.37 51.74 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 122.958 0.314 . . . . 0.0 113.214 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 92.8 t80 -112.87 159.0 19.48 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.225 1.01 . . . . 0.0 109.585 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.91 160.44 27.92 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.158 0.583 . . . . 0.0 111.932 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.63 137.36 0.8 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.488 1.118 . . . . 0.0 109.844 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 13' ' ' ILE . 86.1 t -82.14 115.02 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 122.974 0.51 . . . . 0.0 109.761 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.87 -51.4 7.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.895 0.878 . . . . 0.0 110.775 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -114.95 140.45 49.01 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.612 0.765 . . . . 0.0 110.002 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 57.2 tttm -129.81 119.32 23.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.536 0.734 . . . . 0.0 109.96 -174.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.31 -132.26 4.04 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.91 -0.383 . . . . 0.0 112.505 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.83 121.15 15.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.052 0.941 . . . . 0.0 111.494 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 44.0 mt-10 -63.21 -35.39 80.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.818 0.847 . . . . 0.0 112.975 -172.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -47.17 6.53 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.19 11.24 14.06 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -168.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.43 138.96 43.39 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 113.791 0.276 . . . . 0.0 113.791 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.71 109.32 11.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.571 0.748 . . . . 0.0 110.674 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 5' ' ' SER . 24.6 mm -85.53 105.34 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 122.121 -0.362 . . . . 0.0 110.401 -171.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.1 m-85 -103.11 113.2 26.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.954 0.902 . . . . 0.0 109.416 172.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.8 139.23 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.821 0.848 . . . . 0.0 109.066 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.74 ' HD3' HG21 ' A' ' 82' ' ' ILE . 19.6 ptt85 -113.09 122.96 49.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.539 ' HA ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -78.37 143.8 36.52 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 50.3 ttt85 -124.99 115.85 21.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.087 0.555 . . . . 0.0 109.97 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.522 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.4 mm? -84.57 154.61 22.51 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.941 0.896 . . . . 0.0 109.537 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -21.45 64.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.794 0.838 . . . . 0.0 112.182 177.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.82 -12.64 61.07 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.391 1.076 . . . . 0.0 111.514 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.72 -7.21 63.07 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -89.82 167.81 12.56 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.098 0.559 . . . . 0.0 110.141 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -147.61 166.44 27.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.692 0.797 . . . . 0.0 110.627 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.522 ' ND2' HD21 ' A' ' 42' ' ' LEU . 26.6 m-80 -136.55 133.09 36.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -101.16 143.13 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 31.0 m-85 -129.84 143.67 50.93 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.814 1.245 . . . . 0.0 108.787 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.22 169.58 23.93 Favored Glycine 0 N--CA 1.466 0.689 0 CA-C-O 119.06 -0.856 . . . . 0.0 111.179 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.88 111.18 2.11 Favored 'Trans proline' 0 C--N 1.367 1.55 0 C-N-CA 122.351 2.034 . . . . 0.0 110.931 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.15 0 C-N-CA 123.333 0.653 . . . . 0.0 111.763 -176.25 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 CA--C 1.548 0.882 0 CA-C-O 120.951 0.405 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -65.54 135.25 54.88 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.001 0.92 . . . . 0.0 109.789 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -117.2 151.14 37.51 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 173.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.6 m-85 -100.48 172.11 7.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.713 -172.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 11.0 pt-20 -134.77 145.58 48.55 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.894 1.278 . . . . 0.0 107.999 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.401 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 13.2 m -79.7 102.23 8.86 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 25.8 mmm180 -68.39 -71.7 0.2 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 110.031 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 49' ' ' LEU . 77.1 mt -105.74 157.6 17.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.825 0.85 . . . . 0.0 108.88 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.54 135.46 15.55 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.507 0.323 . . . . 0.0 111.63 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.51 31.32 63.13 Favored Glycine 0 C--N 1.358 1.751 0 O-C-N 124.304 1.002 . . . . 0.0 113.254 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.5 -165.36 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 C-N-CA 125.009 1.324 . . . . 0.0 108.26 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -127.69 176.09 7.79 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.152 0.887 . . . . 0.0 110.962 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.57 -24.79 62.35 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 123.902 0.751 . . . . 0.0 113.824 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.32 -48.59 79.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.438 0.695 . . . . 0.0 110.349 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.71 -37.26 82.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.281 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.74 HG21 ' HD3' ' A' ' 39' ' ' ARG . 37.9 mm -65.29 -57.09 12.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.657 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.97 -24.65 68.0 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.002 0.814 . . . . 0.0 111.638 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.16 89.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.389 0.676 . . . . 0.0 110.912 174.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -74.55 -40.52 61.64 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 178.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.4 mt -58.07 -29.04 65.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.111 0.564 . . . . 0.0 110.736 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.0 tp10 -68.98 -41.57 77.7 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 111.123 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -72.61 -53.22 12.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.807 0.443 . . . . 0.0 110.536 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HG2' ' HG ' ' A' ' 85' ' ' LEU . 21.9 mm-40 -63.55 -34.52 77.98 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.269 1.028 . . . . 0.0 112.214 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.8 ptt180 -64.65 -30.68 71.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.382 0.426 . . . . 0.0 111.293 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -66.15 -41.21 90.73 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.382 0.673 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.95 -42.25 27.35 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.135 0.574 . . . . 0.0 110.236 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -142.15 96.68 3.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.439 1.096 . . . . 0.0 109.629 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 t -77.14 -8.83 58.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.559 0.743 . . . . 0.0 110.904 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -84.89 9.55 14.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.439 0.695 . . . . 0.0 112.32 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.73 154.84 36.15 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TRP . . . . . 0.448 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 20.6 m95 -112.82 135.7 53.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.437 1.095 . . . . 0.0 109.306 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 58.3 t -109.48 125.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 25' ' ' VAL . 22.1 t -119.78 123.12 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.4 pt-20 -87.08 129.6 34.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 169.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -126.77 131.3 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 42.7 tt0 -103.06 106.17 16.64 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.485 HG21 HD11 ' A' ' 109' ' ' LEU . 9.0 t -165.37 162.04 19.31 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.276 0.63 . . . . 0.0 110.621 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.99 -29.55 11.33 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.386 1.074 . . . . 0.0 109.765 171.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.94 99.68 9.6 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 108.948 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 112' ' ' LEU . 8.5 tp -84.21 -35.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.953 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.17 69.16 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.46 0.544 . . . . 0.0 114.46 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -85.41 -27.53 25.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.127 0.571 . . . . 0.0 111.541 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -121.94 -3.26 9.15 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -168.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -159.98 137.76 9.9 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.671 0.788 . . . . 0.0 109.003 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 m -95.9 133.38 40.14 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.884 0.473 . . . . 0.0 111.104 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 70' ' ' PHE . 20.8 mt -127.21 151.02 49.24 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.828 0.851 . . . . 0.0 110.659 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.37 -24.64 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.949 0.9 . . . . 0.0 109.944 172.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -85.58 -65.89 0.96 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 111.068 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 15.7 mm100 . . . . . 0 N--CA 1.477 0.883 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 tpt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.637 0.256 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.5 mtm180 -80.66 103.35 10.45 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.498 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -142.01 177.77 7.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.766 0.826 . . . . 0.0 110.665 -178.792 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.667 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.3 ptpt -80.16 169.83 17.27 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.024 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.708 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.8 m -59.18 -46.38 88.57 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.545 1.138 . . . . 0.0 111.961 -178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -65.24 -36.02 82.84 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.993 0.917 . . . . 0.0 111.686 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.498 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.7 tpt -77.34 -26.57 52.2 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.576 -178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -73.36 -45.79 52.89 Favored 'General case' 0 C--N 1.352 0.712 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' CG1' HD12 ' A' ' 36' ' ' ILE . 35.5 m -61.47 -43.64 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 O-C-N 123.602 0.564 . . . . 0.0 111.328 -177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.2 p -65.14 -44.48 88.5 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.369 0.667 . . . . 0.0 110.421 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.2 -34.63 78.47 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.3 0.64 . . . . 0.0 111.613 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.6 tt -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 124.405 1.082 . . . . 0.0 109.63 -179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 16' ' ' VAL . 95.9 mt -60.14 -40.84 84.61 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 CA-C-N 114.407 -1.269 . . . . 0.0 110.902 178.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -69.37 -27.35 65.25 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 122.499 0.32 . . . . 0.0 111.074 177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . 18.2 mtp180 -69.05 -43.31 74.93 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 122.492 0.317 . . . . 0.0 110.711 177.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG12 HD13 ' A' ' 109' ' ' LEU . 5.7 m -72.06 -37.73 61.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.936 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -69.05 -28.89 66.95 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.361 0.664 . . . . 0.0 110.401 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.8 -24.4 64.4 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.15 0.58 . . . . 0.0 111.293 171.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.52 -0.61 54.49 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.706 0.802 . . . . 0.0 111.633 174.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.33 -11.55 71.44 Favored Glycine 0 C--N 1.351 1.362 0 CA-C-O 119.969 -0.35 . . . . 0.0 113.719 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.44 -166.56 23.46 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 122.887 0.28 . . . . 0.0 113.468 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 84.1 t80 -129.06 156.57 43.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 124.553 1.141 . . . . 0.0 109.544 -172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.12 160.32 32.85 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.054 0.542 . . . . 0.0 111.814 173.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.25 133.6 1.8 Allowed 'General case' 0 C--N 1.353 0.756 0 CA-C-N 115.012 -0.995 . . . . 0.0 110.052 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.4 t -78.05 109.43 12.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 C-N-CA 122.955 0.502 . . . . 0.0 109.918 178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -81.6 -66.02 0.94 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.961 0.904 . . . . 0.0 110.92 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -100.09 146.78 26.39 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.807 0.443 . . . . 0.0 110.312 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 86.3 tttt -124.44 134.78 52.98 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.251 1.02 . . . . 0.0 109.488 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -126.95 -127.83 3.07 Favored Glycine 0 N--CA 1.471 0.997 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.7 131.61 34.56 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 117.539 0.67 . . . . 0.0 110.808 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -68.67 -46.17 69.8 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -172.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.667 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -87.26 -58.72 2.48 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.052 0.541 . . . . 0.0 111.904 -174.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.25 5.22 39.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.737 0.815 . . . . 0.0 112.716 -167.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.14 159.2 51.57 Favored Glycine 0 C--N 1.346 1.138 0 N-CA-C 114.503 0.561 . . . . 0.0 114.503 -171.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.47 159.3 22.93 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 170.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.708 HD11 ' HB3' ' A' ' 5' ' ' SER . 37.4 mm -137.62 117.88 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 33.0 m-85 -120.63 112.33 18.77 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.708 0.803 . . . . 0.0 109.206 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.1 t -109.41 134.74 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 123.776 0.83 . . . . 0.0 109.065 -174.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.8 ptp180 -105.76 120.53 41.94 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.495 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 54.9 tt0 -88.02 127.51 35.39 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 172.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 43.6 ttt85 -106.15 105.96 16.24 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -81.36 126.03 31.1 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 107.758 -1.201 . . . . 0.0 107.758 175.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.65 -7.14 9.48 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 175.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -65.86 -25.83 67.37 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.11 0.964 . . . . 0.0 110.401 172.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 119.61 7.25 9.9 Favored Glycine 0 C--N 1.35 1.317 0 CA-C-N 115.06 -0.973 . . . . 0.0 112.594 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 -114.91 167.94 10.35 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.499 0.72 . . . . 0.0 109.086 -175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 34.1 mt-10 -144.43 155.87 43.94 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.731 0.812 . . . . 0.0 110.102 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -124.85 164.73 19.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.457 1.503 . . . . 0.0 108.207 179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -135.25 142.3 45.93 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 175.503 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.9 m-85 -129.94 155.24 46.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 124.457 1.103 . . . . 0.0 108.794 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.71 172.98 29.59 Favored Glycine 0 N--CA 1.465 0.582 0 CA-C-O 119.224 -0.765 . . . . 0.0 111.38 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.86 125.02 12.08 Favored 'Trans proline' 0 C--N 1.367 1.552 0 C-N-CA 121.992 1.795 . . . . 0.0 110.934 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.08 160.13 79.91 Favored Pre-proline 0 N--CA 1.478 0.967 0 C-N-CA 123.582 0.753 . . . . 0.0 111.485 -178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.4 88.23 0.16 Allowed 'Trans proline' 0 C--N 1.384 2.434 0 C-N-CA 122.644 2.229 . . . . 0.0 110.795 171.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -71.76 145.15 48.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.778 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 p -79.31 61.81 3.5 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.175 0.59 . . . . 0.0 109.881 174.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.489 ' HB2' ' HA ' ' A' ' 60' ' ' ASP . 22.9 p90 -79.51 107.98 12.69 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.859 -176.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.14 87.41 0.78 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.852 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 61.26 42.17 12.34 Favored 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 124.105 0.962 . . . . 0.0 110.121 -174.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 4.7 m-20 67.67 23.91 8.59 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 125.082 1.353 . . . . 0.0 114.186 176.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -65.48 -55.48 17.67 Favored 'General case' 0 N--CA 1.482 1.137 0 CA-C-O 121.314 0.578 . . . . 0.0 110.618 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.92 -8.3 10.86 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.93 -38.32 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.527 0.731 . . . . 0.0 110.673 177.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.517 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -136.15 7.76 3.16 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.615 0.766 . . . . 0.0 111.613 -176.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.517 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 54.1 mmm-85 -116.22 -8.99 11.68 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.455 0.702 . . . . 0.0 110.768 175.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.72 153.82 46.08 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.683 0.793 . . . . 0.0 109.784 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -72.15 95.7 1.69 Allowed 'General case' 0 C--O 1.246 0.897 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -67.53 112.13 4.52 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.548 170.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -75.57 164.04 26.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.728 0.811 . . . . 0.0 109.57 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.53 177.31 4.96 Favored 'General case' 0 C--O 1.223 -0.324 0 C-N-CA 123.756 0.822 . . . . 0.0 110.495 -178.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -142.59 169.4 17.64 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.751 1.22 . . . . 0.0 108.947 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.8 m -97.65 108.44 21.15 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.513 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.1 mmt180 -68.59 -58.05 4.84 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 122.794 0.438 . . . . 0.0 109.925 174.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.6 mt -126.5 158.29 36.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.659 0.783 . . . . 0.0 109.765 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.91 131.3 11.27 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.867 0.467 . . . . 0.0 111.204 177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.99 35.81 92.47 Favored Glycine 0 C--N 1.353 1.505 0 O-C-N 123.934 0.771 . . . . 0.0 112.771 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 32.7 m -108.74 -167.36 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 124.688 1.195 . . . . 0.0 109.649 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -115.3 173.96 6.24 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 122.878 0.471 . . . . 0.0 110.668 177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.33 -27.8 71.29 Favored Glycine 0 C--N 1.347 1.19 0 CA-C-N 115.71 -0.677 . . . . 0.0 114.63 -178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.57 -46.13 84.07 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -60.02 -40.76 90.4 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 124.002 0.814 . . . . 0.0 111.052 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.512 HG23 ' HG ' ' A' ' 49' ' ' LEU . 47.2 mm -60.1 -56.91 14.33 Favored 'Isoleucine or valine' 0 C--N 1.351 0.669 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.838 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -28.68 69.47 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.296 -177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.85 80.16 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.5 0.72 . . . . 0.0 111.283 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.461 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -81.42 -39.46 24.9 Favored 'General case' 0 C--N 1.351 0.67 0 C-N-CA 121.872 0.069 . . . . 0.0 110.942 176.054 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -58.08 -28.33 64.47 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 122.991 0.517 . . . . 0.0 110.281 176.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -65.99 -43.28 88.26 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.624 1.57 . . . . 0.0 111.035 173.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -71.29 -47.67 55.48 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.051 0.54 . . . . 0.0 109.95 -177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -68.47 -37.95 80.6 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.028 0.931 . . . . 0.0 111.603 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ptt85 -63.92 -35.67 81.42 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.226 0.329 . . . . 0.0 111.191 176.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 ttt180 -61.55 -48.96 78.61 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.408 0.683 . . . . 0.0 110.244 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -75.66 -46.14 33.07 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.532 179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -146.73 93.04 2.22 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.701 0.8 . . . . 0.0 110.57 -172.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.1 t -74.77 -1.37 21.75 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.128 0.971 . . . . 0.0 112.016 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -72.14 -1.96 16.88 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.265 0.626 . . . . 0.0 112.37 177.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -68.64 149.33 49.26 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-O 121.323 0.582 . . . . 0.0 110.565 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.425 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 12.4 m95 -101.92 159.28 15.49 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 169.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -130.28 126.13 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -121.22 123.8 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 175.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 13.9 pt-20 -87.48 111.82 21.57 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.448 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.4 pt -105.68 128.71 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 172.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 3.4 tm-20 -110.43 103.39 12.01 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 40' ' ' GLN . 4.6 t -159.38 162.43 35.83 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.378 0.671 . . . . 0.0 110.149 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -83.91 -46.01 12.58 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.163 0.985 . . . . 0.0 109.942 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -103.86 155.7 18.41 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.419 -172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -123.51 -37.43 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 123.1 0.56 . . . . 0.0 111.424 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.36 -34.59 89.78 Favored Glycine 0 C--N 1.35 1.348 0 N-CA-C 114.112 0.405 . . . . 0.0 114.112 -166.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 12.8 t -72.67 -32.98 66.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.437 0.695 . . . . 0.0 111.731 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.606 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -111.22 -0.94 16.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.403 0.681 . . . . 0.0 112.618 -168.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 106' ' ' ILE . 56.7 tp -171.87 117.21 0.39 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.317 1.047 . . . . 0.0 109.213 176.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 92.8 m -89.64 137.9 31.94 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.433 0.693 . . . . 0.0 110.666 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.0 mt -130.19 148.65 52.05 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.75 1.22 . . . . 0.0 110.53 -172.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.4 -30.19 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 124.134 0.974 . . . . 0.0 109.891 173.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.86 -57.7 4.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.077 0.951 . . . . 0.0 110.028 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -73.54 145.05 84.4 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.364 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -66.43 164.05 30.02 Favored 'Trans proline' 0 C--N 1.376 1.976 0 C-N-CA 123.16 2.573 . . . . 0.0 113.09 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -81.2 150.38 28.66 Favored 'General case' 0 C--O 1.241 0.657 0 CA-C-N 114.736 -1.12 . . . . 0.0 109.533 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.108 0 C-N-CA 123.202 0.601 . . . . 0.0 110.516 -178.322 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.421 ' HE ' ' HA ' ' A' ' 66' ' ' ALA . 33.6 mtt180 -80.33 105.15 11.37 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.569 1.147 . . . . 0.0 110.005 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.52 -179.44 7.58 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.982 0.913 . . . . 0.0 111.09 -177.381 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 50.7 mtmt -66.78 163.75 18.63 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 122.775 0.43 . . . . 0.0 110.984 173.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.592 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -64.35 -40.88 96.73 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.386 1.075 . . . . 0.0 110.233 173.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.24 -50.58 72.48 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.441 1.096 . . . . 0.0 110.49 175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.452 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.8 tpt -67.8 -26.51 66.12 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.426 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -65.57 -47.73 74.79 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.392 0.677 . . . . 0.0 109.643 176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.8 t -60.34 -53.48 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 O-C-N 124.127 0.892 . . . . 0.0 111.043 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 m -58.75 -41.65 87.02 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.886 -176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.17 -41.46 81.48 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.485 0.49 . . . . 0.0 110.952 177.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.41 -43.09 97.05 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 124.336 1.054 . . . . 0.0 110.387 -175.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.512 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -58.84 -45.72 91.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.159 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 2.1 mpt_? -72.66 -23.76 60.94 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 122.759 0.423 . . . . 0.0 111.551 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.3 mtp180 -65.58 -44.95 85.09 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.804 0.442 . . . . 0.0 110.635 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG12 HD13 ' A' ' 109' ' ' LEU . 3.9 m -72.97 -35.08 47.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.431 -176.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -70.97 -29.01 64.88 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.003 0.521 . . . . 0.0 110.551 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.36 83.45 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 122.937 0.495 . . . . 0.0 110.572 170.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.01 -25.51 59.93 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.656 0.782 . . . . 0.0 111.419 175.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.42 -3.14 29.48 Favored Glycine 0 N--CA 1.475 1.281 0 C-N-CA 123.344 0.497 . . . . 0.0 113.382 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.11 -150.6 4.7 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.381 0.515 . . . . 0.0 114.384 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.0 t80 -140.6 156.63 46.22 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.353 1.061 . . . . 0.0 109.741 -174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.56 159.26 30.39 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.631 0.772 . . . . 0.0 110.869 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 121.6 0.77 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.315 1.01 . . . . 0.0 110.016 177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -83.37 107.94 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 CA-C-O 121.337 0.589 . . . . 0.0 110.59 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -81.01 -64.33 1.21 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.141 0.976 . . . . 0.0 111.349 -179.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -91.88 146.78 23.48 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 122.81 0.444 . . . . 0.0 109.85 -178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -134.59 130.97 37.31 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 123.882 0.873 . . . . 0.0 110.215 -174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.32 -128.51 2.84 Favored Glycine 0 C--N 1.344 1.024 0 O-C-N 123.314 0.384 . . . . 0.0 112.879 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.81 140.47 34.17 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.281 0.632 . . . . 0.0 111.662 -172.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 32.5 mt-10 -75.6 -53.51 8.48 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -174.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.34 -35.76 12.25 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -108.65 1.7 21.45 Favored 'General case' 0 N--CA 1.483 1.189 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.21 147.93 46.72 Favored Glycine 0 C--N 1.344 1.004 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -169.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.56 156.28 32.95 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 167.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.592 HD11 ' HB3' ' A' ' 5' ' ' SER . 29.9 mm -137.77 117.26 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 56.9 m-85 -118.71 111.87 19.05 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.531 0.682 . . . . 0.0 109.629 177.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.1 t -108.79 131.74 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 C-N-CA 124.217 1.007 . . . . 0.0 108.962 -172.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.515 HH21 ' HG2' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -113.5 115.06 27.41 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.129 0.572 . . . . 0.0 109.801 -179.225 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.44 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 41.0 tt0 -95.29 119.71 34.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.096 0.559 . . . . 0.0 111.226 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -86.43 118.61 25.97 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.445 0.698 . . . . 0.0 110.106 174.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 46' ' ' ARG . 2.7 mm? -73.53 149.7 42.04 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 168.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -67.86 -12.27 60.31 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.553 0.741 . . . . 0.0 111.264 172.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.21 -20.4 63.1 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.913 1.285 . . . . 0.0 111.587 174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.3 27.68 8.02 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.071 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.438 ' HB2' HD23 ' A' ' 42' ' ' LEU . 19.7 mmt180 -121.32 174.33 6.79 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.364 1.066 . . . . 0.0 110.031 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.515 ' HG2' HH21 ' A' ' 39' ' ' ARG . 17.0 mp0 -132.66 164.81 25.89 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.088 0.955 . . . . 0.0 110.347 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 28.5 m-80 -130.41 173.35 10.91 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.166 1.386 . . . . 0.0 107.574 172.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.5 OUTLIER -147.17 141.09 25.87 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 107.68 -1.23 . . . . 0.0 107.68 174.425 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 58.2 m-85 -131.23 152.81 50.14 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.445 1.098 . . . . 0.0 108.769 -176.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.43 162.51 29.3 Favored Glycine 0 C--N 1.335 0.483 0 CA-C-O 119.107 -0.829 . . . . 0.0 111.768 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.58 124.22 13.35 Favored 'Trans proline' 0 C--N 1.371 1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 111.384 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.24 152.4 39.37 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 123.211 0.604 . . . . 0.0 110.351 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.65 102.99 0.65 Allowed 'Trans proline' 0 C--N 1.373 1.84 0 C-N-CA 122.3 2.0 . . . . 0.0 110.455 171.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -68.13 161.95 25.82 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.327 0.651 . . . . 0.0 110.736 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 m -76.5 124.09 27.05 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -146.76 145.62 30.01 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.45 0.7 . . . . 0.0 110.388 177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.1 102.97 9.76 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.499 0.719 . . . . 0.0 109.126 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 58.67 53.83 5.74 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.664 1.186 . . . . 0.0 110.237 -175.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 55.37 18.8 2.73 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 31.9 mm-40 -69.92 -61.54 1.74 Allowed 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.256 0.551 . . . . 0.0 110.822 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.477 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.6 m-20 -71.21 -6.64 41.14 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 114.995 -1.002 . . . . 0.0 112.738 -168.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mm -53.08 -39.66 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 123.662 0.785 . . . . 0.0 109.933 167.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 37.8 mtm -111.88 -12.49 13.78 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.588 1.155 . . . . 0.0 111.497 -176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 18.8 mmm180 -99.52 -7.22 26.23 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 123.091 0.556 . . . . 0.0 111.14 179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.421 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . . . -147.1 159.77 43.21 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.432 1.093 . . . . 0.0 109.233 177.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 148.24 31.03 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-O 121.326 0.584 . . . . 0.0 110.985 -179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.2 ptt180 -63.21 97.81 0.13 Allowed 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.107 165.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -79.88 150.58 30.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.607 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.422 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.5 m-85 -101.49 173.41 6.45 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.228 0.537 . . . . 0.0 111.621 -169.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -138.14 169.45 17.77 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 125.293 1.437 . . . . 0.0 108.568 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.459 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 26.1 m -100.47 113.14 25.69 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.446 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 19.4 mmt180 -70.87 -59.53 2.74 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.447 0.699 . . . . 0.0 109.838 174.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 55.3 mt -126.62 160.48 30.56 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.989 0.915 . . . . 0.0 109.359 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.37 134.94 11.6 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 118.263 0.483 . . . . 0.0 111.648 178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.18 26.67 66.25 Favored Glycine 0 C--N 1.353 1.516 0 O-C-N 123.811 0.694 . . . . 0.0 113.775 178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.38 -169.47 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.073 0.949 . . . . 0.0 110.111 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.3 pt-20 -103.58 161.49 13.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.353 0.661 . . . . 0.0 110.52 176.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.76 -21.92 63.64 Favored Glycine 0 C--N 1.347 1.163 0 CA-C-N 115.723 -0.672 . . . . 0.0 114.232 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -68.99 -38.57 79.37 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.007 0.523 . . . . 0.0 110.466 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.51 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 38.3 mm-40 -67.62 -35.52 79.09 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.04 0.536 . . . . 0.0 110.858 174.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.7 mm -61.7 -55.88 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.492 -179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.41 -29.36 70.42 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.973 0.509 . . . . 0.0 111.622 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.01 81.73 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.528 0.731 . . . . 0.0 111.856 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.442 HD22 HD13 ' A' ' 49' ' ' LEU . 1.4 tp -82.7 -43.57 16.71 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 174.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.4 mt -54.9 -34.86 63.53 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.368 0.667 . . . . 0.0 111.504 -175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -67.53 -33.52 75.22 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 123.762 0.664 . . . . 0.0 110.684 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.5 mtt-85 -73.77 -53.77 9.54 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.332 0.653 . . . . 0.0 109.584 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -63.38 -33.86 76.45 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.599 -175.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HA ' HD22 ' A' ' 96' ' ' LEU . 46.3 ptt85 -72.22 -29.95 64.45 Favored 'General case' 0 N--CA 1.484 1.237 0 O-C-N 123.542 0.526 . . . . 0.0 111.799 175.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.9 ttm180 -63.02 -42.34 99.77 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.797 0.439 . . . . 0.0 110.359 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -82.7 -42.21 18.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.612 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.43 ' O ' HD22 ' A' ' 96' ' ' LEU . 19.2 m-20 -137.78 88.39 2.32 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.785 0.834 . . . . 0.0 109.439 -176.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 48.5 t -72.62 -11.61 60.71 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 123.718 0.807 . . . . 0.0 112.166 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -79.1 10.85 3.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.367 1.067 . . . . 0.0 112.302 176.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -72.87 145.21 47.06 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 120.942 0.401 . . . . 0.0 110.402 175.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -104.07 125.78 50.68 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 84.0 t -101.18 114.97 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -117.96 113.69 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -176.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -90.41 108.09 19.56 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.413 0.625 . . . . 0.0 109.882 176.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 40' ' ' GLN . 48.1 pt -104.76 135.92 40.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 N-CA-C 108.474 -0.935 . . . . 0.0 108.474 176.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 34.4 tt0 -106.4 117.94 35.35 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 173.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.4 t -169.4 164.09 10.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.055 0.942 . . . . 0.0 109.491 178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -95.32 -38.16 10.65 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.886 0.875 . . . . 0.0 109.971 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -101.72 136.54 41.39 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.588 1.155 . . . . 0.0 109.705 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD11 HD23 ' A' ' 110' ' ' LEU . 9.8 tp -106.17 -36.79 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 122.545 0.338 . . . . 0.0 111.468 -177.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.8 -31.05 76.81 Favored Glycine 0 C--N 1.348 1.248 0 O-C-N 123.442 0.464 . . . . 0.0 114.035 -168.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 7.6 t -78.07 -21.15 51.0 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.119 0.568 . . . . 0.0 112.529 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.558 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -128.05 4.03 5.88 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.374 0.67 . . . . 0.0 112.545 -169.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.469 HD23 HD11 ' A' ' 106' ' ' ILE . 52.5 tp -167.33 132.21 1.97 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.199 0.999 . . . . 0.0 109.042 173.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -89.93 133.79 34.58 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 123.71 0.804 . . . . 0.0 110.644 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.438 HD11 HG12 ' A' ' 106' ' ' ILE . 20.7 mt -134.31 155.06 50.89 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.003 0.921 . . . . 0.0 110.23 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 26.8 m -97.05 -17.16 6.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 C-N-CA 124.359 1.063 . . . . 0.0 110.018 172.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -86.58 -63.94 1.23 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.72 0.808 . . . . 0.0 111.094 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.459 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 31.0 mm-40 -62.37 130.23 93.05 Favored Pre-proline 0 N--CA 1.481 1.107 0 C-N-CA 122.789 0.436 . . . . 0.0 111.239 -177.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -64.96 117.94 4.98 Favored 'Trans proline' 0 C--N 1.376 1.99 0 C-N-CA 122.503 2.136 . . . . 0.0 110.79 176.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -75.5 -29.93 59.68 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.482 0.713 . . . . 0.0 110.77 -177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 C-N-CA 124.21 1.004 . . . . 0.0 108.777 177.131 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.2 ttm . . . . . 0 N--CA 1.485 1.294 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -75.05 116.8 16.18 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.421 0.688 . . . . 0.0 109.173 170.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.545 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -158.65 -174.56 4.84 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.07 0.948 . . . . 0.0 109.829 -176.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 97.2 mttt -67.07 161.52 24.27 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.144 0.577 . . . . 0.0 111.735 175.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.521 ' HB3' HD11 ' A' ' 36' ' ' ILE . 4.6 m -56.47 -45.65 80.79 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.22 1.008 . . . . 0.0 109.797 164.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -57.12 -46.48 82.6 Favored 'General case' 0 C--O 1.241 0.645 0 C-N-CA 126.169 1.787 . . . . 0.0 112.316 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.545 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.2 tpt -77.04 -26.83 54.1 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.783 -179.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -72.65 -47.53 46.83 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.7 m -62.84 -39.58 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 O-C-N 123.703 0.627 . . . . 0.0 110.692 -178.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.2 t -63.66 -51.11 66.56 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 123.705 0.628 . . . . 0.0 109.69 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.27 -34.61 73.98 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.677 0.791 . . . . 0.0 111.93 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 tt -65.13 -40.89 95.07 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.74 1.216 . . . . 0.0 109.898 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.52 ' O ' HG22 ' A' ' 16' ' ' VAL . 96.6 mt -60.59 -44.56 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.076 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -73.08 -24.49 60.67 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 122.155 -0.34 . . . . 0.0 110.786 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 27.1 mtp180 -62.03 -45.7 92.45 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.714 0.406 . . . . 0.0 110.314 172.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG12 HD13 ' A' ' 109' ' ' LEU . 4.2 m -73.36 -38.12 52.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.824 -176.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -68.33 -28.61 67.3 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 122.938 0.495 . . . . 0.0 110.78 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.06 -21.13 63.19 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.168 0.587 . . . . 0.0 111.38 172.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.66 -21.06 18.44 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.555 0.742 . . . . 0.0 111.573 175.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.38 2.8 31.15 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-O 119.968 -0.351 . . . . 0.0 113.818 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 -174.4 47.31 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.397 0.522 . . . . 0.0 113.603 175.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -117.29 156.75 27.25 Favored 'General case' 0 N--CA 1.49 1.572 0 C-N-CA 124.704 1.202 . . . . 0.0 109.823 -176.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -161.81 157.41 24.08 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.413 0.685 . . . . 0.0 111.788 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.38 132.64 2.01 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.748 0.819 . . . . 0.0 110.829 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.439 HG23 HD11 ' A' ' 13' ' ' ILE . 52.9 t -75.35 101.77 2.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 C-N-CA 123.482 0.713 . . . . 0.0 110.454 176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -74.21 -59.05 2.9 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.74 0.816 . . . . 0.0 110.896 176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -109.59 147.81 32.37 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 123.382 0.673 . . . . 0.0 110.066 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -135.58 122.94 21.86 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.027 0.931 . . . . 0.0 110.771 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.4 -134.7 6.06 Favored Glycine 0 C--N 1.34 0.755 0 CA-C-O 119.779 -0.456 . . . . 0.0 112.575 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.21 130.97 42.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.469 0.708 . . . . 0.0 110.435 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 46.6 mt-10 -56.96 -50.91 71.21 Favored 'General case' 0 C--O 1.206 -1.209 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -171.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.76 -48.66 5.95 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.09 2.93 35.4 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -168.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.5 144.98 44.97 Favored Glycine 0 CA--C 1.535 1.301 0 O-C-N 123.363 0.414 . . . . 0.0 114.022 -176.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.47 157.47 35.83 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.373 0.669 . . . . 0.0 110.19 175.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 5' ' ' SER . 9.4 mm -127.39 137.98 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 178.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 59.2 m-85 -133.57 112.96 11.91 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.379 1.071 . . . . 0.0 108.977 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.6 t -112.85 129.79 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 123.9 0.88 . . . . 0.0 109.316 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ptp85 -106.71 126.45 52.3 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.513 ' OE1' ' HB ' ' A' ' 106' ' ' ILE . 37.6 tt0 -98.59 115.07 27.82 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 122.553 0.341 . . . . 0.0 110.204 178.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -88.8 113.82 24.76 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -74.79 157.58 34.94 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.233 1.013 . . . . 0.0 110.945 174.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -14.85 62.61 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.346 0.659 . . . . 0.0 111.846 173.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.14 -16.83 64.29 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.65 1.18 . . . . 0.0 111.705 175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.63 31.99 25.74 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -170.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -124.67 170.75 10.67 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.442 1.097 . . . . 0.0 109.253 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -135.69 158.65 43.85 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.066 0.946 . . . . 0.0 110.184 -175.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.444 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 26.6 m-80 -113.82 174.72 5.79 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.996 1.319 . . . . 0.0 108.238 169.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.473 ' HB2' HD12 ' A' ' 82' ' ' ILE . 13.7 tp -142.85 137.36 29.54 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 170.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 50.8 m-85 -132.13 117.19 17.97 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -176.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -108.72 179.55 21.32 Favored Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.376 -0.68 . . . . 0.0 112.407 -175.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 5.1 Cg_exo -72.69 111.1 3.16 Favored 'Trans proline' 0 C--N 1.366 1.467 0 C-N-CA 122.441 2.094 . . . . 0.0 109.314 175.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.36 34.91 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.059 0.849 . . . . 0.0 112.062 -177.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.19 74.09 1.51 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.703 2.269 . . . . 0.0 109.504 171.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.78 162.26 27.81 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-N 113.902 -1.499 . . . . 0.0 109.073 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -74.99 74.95 2.2 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.54 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 20.4 p90 -92.79 89.94 6.83 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 175.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.83 97.22 0.33 Allowed 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.262 -1.335 . . . . 0.0 109.23 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.8 t70 66.09 33.12 7.75 Favored 'General case' 0 CA--C 1.558 1.265 0 C-N-CA 124.506 1.123 . . . . 0.0 110.622 -177.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 57' ' ' PHE . 1.8 m-20 61.87 25.58 15.39 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 124.725 1.21 . . . . 0.0 113.243 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -71.15 -57.25 4.69 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.54 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 5.9 m-20 -63.88 -5.5 4.51 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -168.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.0 mm -56.44 -47.02 82.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.062 0 C-N-CA 123.421 0.689 . . . . 0.0 109.964 169.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 53.1 mtm -114.34 -35.3 5.01 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.75 1.22 . . . . 0.0 111.203 -176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -78.45 -7.47 57.45 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 124.071 0.949 . . . . 0.0 110.895 -175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.81 160.0 41.09 Favored 'General case' 0 C--O 1.243 0.715 0 C-N-CA 124.788 1.235 . . . . 0.0 108.417 169.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -71.78 135.51 46.74 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 176.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.8 ptp180 -84.75 123.0 29.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.371 0.669 . . . . 0.0 110.275 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -93.94 153.35 18.26 Favored 'General case' 0 C--O 1.241 0.642 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.413 ' HB2' HD23 ' A' ' 112' ' ' LEU . 4.0 m-85 -100.31 173.79 6.43 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 122.618 0.367 . . . . 0.0 110.944 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 16.1 pt-20 -135.68 149.62 49.33 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.478 1.111 . . . . 0.0 108.444 177.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 24.2 m -83.07 101.32 11.06 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 177.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -76.24 -48.76 19.15 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.787 0.835 . . . . 0.0 109.687 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.3 mt -134.53 156.7 48.18 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.625 1.17 . . . . 0.0 108.812 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.91 127.67 7.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.175 0.59 . . . . 0.0 110.657 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.46 26.25 71.74 Favored Glycine 0 C--N 1.352 1.446 0 O-C-N 123.887 0.742 . . . . 0.0 113.897 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.04 -167.56 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 124.174 0.989 . . . . 0.0 109.448 -178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 1.8 pm0 -105.8 160.45 15.23 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.277 0.631 . . . . 0.0 110.456 177.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.13 -16.54 60.12 Favored Glycine 0 C--N 1.351 1.405 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.939 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -66.19 -41.75 89.8 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 123.793 0.837 . . . . 0.0 110.452 171.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 35.8 mm-40 -71.17 -37.39 72.17 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.552 0.741 . . . . 0.0 111.16 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 49' ' ' LEU . 37.3 mm -61.1 -53.93 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.65 -32.32 72.47 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.059 0.944 . . . . 0.0 111.856 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.56 -39.62 88.63 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.871 0.732 . . . . 0.0 111.529 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.2 tp -81.61 -44.25 17.5 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 123.16 0.287 . . . . 0.0 111.23 175.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.0 mt -53.45 -33.67 55.03 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.125 0.57 . . . . 0.0 111.654 -177.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -73.38 -32.53 64.54 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.793 0.683 . . . . 0.0 110.585 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -72.31 -48.33 43.0 Favored 'General case' 0 C--N 1.354 0.784 0 CA-C-O 121.428 0.632 . . . . 0.0 109.516 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.22 -51.39 63.92 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.65 -175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.9 ptt85 -59.0 -29.78 67.49 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -59.85 -45.17 93.27 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.785 0.834 . . . . 0.0 111.025 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -87.82 -44.0 11.43 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.097 -175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -126.75 102.25 6.97 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.934 1.294 . . . . 0.0 109.242 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.8 t -70.73 -17.42 62.81 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.405 1.082 . . . . 0.0 111.421 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -76.31 0.05 20.76 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -77.42 159.39 29.47 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.724 0.773 . . . . 0.0 112.019 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -117.85 148.18 42.36 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.439 1.495 . . . . 0.0 108.281 179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 90.9 t -122.94 126.52 73.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 171.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.17 117.0 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 173.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.1 pt-20 -87.98 112.21 22.34 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 23' ' ' ALA . 31.8 pt -102.8 159.84 4.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -138.86 118.38 12.94 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.949 -1.13 . . . . 0.0 107.949 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 7.5 t -172.4 165.55 5.78 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.972 0.909 . . . . 0.0 108.921 -173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -90.27 -31.22 17.06 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.483 0.713 . . . . 0.0 110.786 177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -123.93 133.94 53.62 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.718 0.807 . . . . 0.0 110.68 -174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.513 ' HB ' ' OE1' ' A' ' 40' ' ' GLN . 9.8 tp -95.04 -34.53 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.723 0.809 . . . . 0.0 111.075 -179.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -62.93 -21.2 63.19 Favored Glycine 0 C--N 1.346 1.085 0 N-CA-C 115.194 0.838 . . . . 0.0 115.194 -164.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.8 t -86.01 -34.74 20.71 Favored 'General case' 0 CA--C 1.55 0.951 0 CA-C-N 117.124 0.462 . . . . 0.0 111.448 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.532 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -112.47 3.21 16.71 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.607 0.763 . . . . 0.0 112.801 -167.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.9 tp -168.04 146.48 4.5 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.9 0.88 . . . . 0.0 109.305 172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 24.4 m -103.59 134.38 47.04 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.098 0.559 . . . . 0.0 111.341 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.531 HD12 ' HB2' ' A' ' 115' ' ' GLN . 33.8 mt -121.69 157.65 30.44 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.022 0.929 . . . . 0.0 110.104 -179.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.0 m -91.8 -12.71 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 123.74 0.816 . . . . 0.0 110.004 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -95.64 -76.55 0.5 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.221 0.608 . . . . 0.0 110.656 -175.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.531 ' HB2' HD12 ' A' ' 112' ' ' LEU . 27.6 mm-40 -68.85 147.97 97.91 Favored Pre-proline 0 N--CA 1.48 1.058 0 C-N-CA 123.718 0.807 . . . . 0.0 111.713 -177.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -52.61 146.59 33.71 Favored 'Trans proline' 0 C--N 1.38 2.193 0 C-N-CA 123.756 2.97 . . . . 0.0 112.538 168.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -88.94 -20.24 24.76 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.566 0.746 . . . . 0.0 110.584 -175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.331 0 C-N-CA 123.717 0.807 . . . . 0.0 109.183 177.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 111.384 0.142 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 81.3 mtm180 62.7 89.04 0.09 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.257 1.023 . . . . 0.0 111.036 -173.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.416 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -146.62 173.51 12.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.787 1.235 . . . . 0.0 109.594 -175.595 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.5 ptpp? -80.08 173.07 12.97 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 123.384 0.428 . . . . 0.0 110.38 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.612 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.7 m -58.18 -45.22 87.89 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.095 0.958 . . . . 0.0 111.756 -178.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -59.59 -50.09 75.24 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.91 1.284 . . . . 0.0 111.235 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.416 ' HG3' HD22 ' A' ' 3' ' ' LEU . 9.8 tpt -74.18 -23.86 59.29 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.594 -1.185 . . . . 0.0 110.83 -174.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.08 -46.05 79.07 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.4 t -67.4 -40.75 85.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.584 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.461 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 26.0 t -58.48 -41.25 84.84 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 123.165 0.586 . . . . 0.0 110.124 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.66 -35.38 67.71 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.914 176.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 tt -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 124.181 0.992 . . . . 0.0 111.091 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -55.72 -46.46 79.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' A' ' 10' ' ' SER . 3.7 mpt_? -69.84 -29.6 66.9 Favored 'General case' 0 CA--C 1.555 1.15 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.269 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 77.4 mtt180 -61.5 -48.36 81.41 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 123.176 0.59 . . . . 0.0 110.558 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 109' ' ' LEU . 4.3 m -73.06 -37.37 53.06 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.075 -174.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -68.17 -30.09 69.12 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.72 0.408 . . . . 0.0 110.695 178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.66 -33.49 76.02 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.924 0.49 . . . . 0.0 110.277 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.24 -13.17 53.35 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.085 0.954 . . . . 0.0 112.1 177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.72 -8.74 47.19 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 119.9 -0.389 . . . . 0.0 113.677 177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.49 -173.04 41.82 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 123.523 0.19 . . . . 0.0 113.322 177.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 88.9 t80 -119.81 157.43 28.67 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 124.445 1.098 . . . . 0.0 108.921 -177.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.536 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.33 158.4 35.93 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.089 0.555 . . . . 0.0 111.066 173.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.27 134.2 2.83 Favored 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.304 1.003 . . . . 0.0 109.829 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 t -78.95 98.93 2.94 Favored 'Isoleucine or valine' 0 C--O 1.242 0.679 0 CA-C-N 115.496 -0.775 . . . . 0.0 108.996 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -70.22 -59.45 2.87 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.38 0.672 . . . . 0.0 110.474 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -111.75 145.82 38.67 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.549 0.74 . . . . 0.0 109.55 178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -119.91 139.21 52.78 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.498 1.119 . . . . 0.0 108.912 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -129.29 -137.31 4.26 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-O 119.811 -0.439 . . . . 0.0 112.056 176.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.87 129.54 37.84 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.303 0.641 . . . . 0.0 110.074 -177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -75.96 -41.02 52.71 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 122.872 0.469 . . . . 0.0 111.972 -169.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.522 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -84.23 -50.39 7.93 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.789 0.436 . . . . 0.0 111.86 -177.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -118.49 14.45 13.66 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -168.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.46 150.76 43.95 Favored Glycine 0 N--CA 1.468 0.822 0 N-CA-C 113.831 0.292 . . . . 0.0 113.831 -175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.23 157.65 37.32 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 171.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -136.74 106.31 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 68.3 m-85 -109.07 112.42 24.59 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.586 0.708 . . . . 0.0 109.559 176.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -107.35 126.36 63.57 Favored 'Isoleucine or valine' 0 C--N 1.339 0.126 0 C-N-CA 124.704 1.201 . . . . 0.0 108.728 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 4.2 ptm180 -107.83 108.23 19.33 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.984 0.914 . . . . 0.0 108.732 -178.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.0 tt0 -82.85 110.03 17.5 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.493 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 42.2 ttm180 -76.72 102.65 6.31 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.372 0.669 . . . . 0.0 109.469 170.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.447 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.7 mm? -66.06 144.71 56.55 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.471 0.709 . . . . 0.0 109.761 174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.8 -17.24 64.49 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.122 0.569 . . . . 0.0 111.21 175.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -75.17 -13.61 60.47 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 123.632 0.773 . . . . 0.0 111.727 177.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.17 14.14 46.4 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 112.019 -0.432 . . . . 0.0 112.019 -176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -101.32 179.52 4.34 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.524 0.729 . . . . 0.0 109.158 176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 26.3 mt-10 -146.08 144.33 29.96 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 121.433 0.635 . . . . 0.0 110.971 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -112.88 161.39 17.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.58 1.152 . . . . 0.0 107.893 169.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -129.41 141.67 50.99 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 175.235 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 73.2 m-85 -131.24 146.68 52.41 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 124.79 1.236 . . . . 0.0 108.76 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.77 165.22 27.29 Favored Glycine 0 N--CA 1.464 0.526 0 CA-C-O 119.288 -0.729 . . . . 0.0 111.651 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.4 108.82 2.1 Favored 'Trans proline' 0 C--N 1.37 1.671 0 C-N-CA 122.574 2.183 . . . . 0.0 111.222 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 154.3 85.94 Favored Pre-proline 0 C--O 1.247 0.94 0 C-N-CA 123.583 0.753 . . . . 0.0 110.961 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -63.63 114.7 2.66 Favored 'Trans proline' 0 C--N 1.377 2.063 0 C-N-CA 122.449 2.1 . . . . 0.0 110.157 172.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -64.24 133.99 53.88 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.895 -178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.3 m -78.41 92.62 4.61 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.489 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 47.7 p90 -119.95 146.53 45.73 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.895 0.478 . . . . 0.0 111.767 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.77 100.69 9.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.073 0.949 . . . . 0.0 108.479 171.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 t70 61.31 38.76 16.15 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.895 1.278 . . . . 0.0 111.181 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 69.89 9.46 7.13 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.752 1.621 . . . . 0.0 113.875 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -65.52 -50.9 63.52 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.546 0.338 . . . . 0.0 111.116 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 2.6 m-20 -67.6 -9.42 42.73 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 123.655 0.782 . . . . 0.0 113.011 -174.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.64 -34.91 60.42 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 121.624 0.726 . . . . 0.0 109.782 170.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.3 mtm -102.77 -26.19 13.24 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.514 1.126 . . . . 0.0 111.403 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -74.79 -27.28 60.25 Favored 'General case' 0 N--CA 1.489 1.498 0 CA-C-O 120.52 0.2 . . . . 0.0 110.689 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.3 152.84 35.11 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.219 1.007 . . . . 0.0 109.179 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -73.02 149.04 43.58 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.014 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.24 121.49 16.33 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-O 121.165 0.507 . . . . 0.0 109.919 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -72.46 167.29 20.89 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.327 -176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -105.85 173.9 6.12 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.163 0.585 . . . . 0.0 110.852 -178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -144.91 160.08 41.89 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.239 1.016 . . . . 0.0 109.49 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.7 m -92.4 105.52 17.69 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.191 0.596 . . . . 0.0 109.525 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 30.1 mmm180 -74.85 -63.57 1.23 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 123.586 0.754 . . . . 0.0 109.853 -179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 83.0 mt -114.11 160.2 19.19 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.43 0.692 . . . . 0.0 109.493 176.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.35 121.42 6.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.641 0.376 . . . . 0.0 111.386 -178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.505 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.95 26.61 72.19 Favored Glycine 0 C--N 1.35 1.36 0 CA-C-N 115.816 -0.629 . . . . 0.0 113.548 172.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.36 -168.11 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 C-N-CA 124.442 1.097 . . . . 0.0 110.182 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -107.6 170.59 7.89 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.16 0.584 . . . . 0.0 110.875 176.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.71 -18.33 63.79 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-N 115.742 -0.663 . . . . 0.0 113.979 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.58 -42.06 74.97 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.637 0.775 . . . . 0.0 110.32 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -70.77 -36.9 73.28 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.621 0.769 . . . . 0.0 110.729 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.5 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.0 mm -61.37 -56.26 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.743 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.704 176.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.29 -28.87 70.31 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.799 0.839 . . . . 0.0 111.346 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -59.24 -44.71 92.34 Favored 'General case' 0 C--N 1.353 0.723 0 O-C-N 123.883 0.739 . . . . 0.0 110.813 176.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.438 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -78.62 -41.26 32.06 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.235 0.335 . . . . 0.0 111.252 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -55.59 -33.82 64.28 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.176 0.59 . . . . 0.0 111.103 -177.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.84 -30.99 56.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.274 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 28.9 mtp180 -74.4 -39.36 62.72 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 122.807 0.443 . . . . 0.0 110.133 -179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -75.22 -38.8 60.5 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.8 ptt85 -65.6 -28.74 69.35 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 123.357 0.411 . . . . 0.0 111.4 176.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -60.25 -43.08 96.42 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.932 0.893 . . . . 0.0 111.034 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -82.4 -53.98 5.58 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.178 177.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -132.14 100.61 5.09 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.015 0.926 . . . . 0.0 109.666 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.5 t -74.31 -1.99 23.19 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 123.378 0.671 . . . . 0.0 110.442 172.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -73.9 4.49 5.25 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.442 1.497 . . . . 0.0 112.452 174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -78.61 150.61 32.66 Favored 'General case' 0 C--N 1.359 0.981 0 CA-C-N 118.237 0.471 . . . . 0.0 110.417 176.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 16.4 m95 -105.82 126.07 51.73 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 107.642 -1.244 . . . . 0.0 107.642 174.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.5 t -103.67 118.21 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.8 t -123.73 117.42 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -175.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.404 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.9 pt-20 -86.96 122.86 31.4 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 173.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 23' ' ' ALA . 45.5 pt -118.8 120.85 65.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 175.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.81 101.73 13.44 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 -176.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.1 t -157.23 157.91 35.17 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.527 0.679 . . . . 0.0 111.098 -176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -79.67 -29.03 40.73 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.817 1.247 . . . . 0.0 111.664 -179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -131.79 -175.67 3.8 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.573 0.749 . . . . 0.0 110.549 -176.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.2 tp -132.75 -23.06 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.667 -178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.78 -34.42 82.9 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 -162.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.2 t -83.99 -17.09 41.65 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.945 0.498 . . . . 0.0 112.327 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD13 HG12 ' A' ' 16' ' ' VAL . 3.1 pp -127.31 4.71 6.32 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 -166.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 48.8 tp -167.29 131.72 1.91 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 124.031 0.932 . . . . 0.0 109.127 172.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.5 m -92.11 130.99 37.71 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.466 0.706 . . . . 0.0 110.361 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -128.7 158.7 37.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.977 0.911 . . . . 0.0 110.481 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.3 m -91.15 -27.27 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.131 0.972 . . . . 0.0 109.753 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.69 -67.3 0.68 Allowed 'General case' 0 C--N 1.355 0.808 0 C-N-CA 123.881 0.872 . . . . 0.0 110.505 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -65.09 143.47 98.87 Favored Pre-proline 0 CA--C 1.547 0.85 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.822 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -61.71 157.05 44.39 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.926 2.417 . . . . 0.0 112.715 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -72.88 -19.33 61.31 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.143 173.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 C-N-CA 123.949 0.9 . . . . 0.0 109.13 172.323 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 27.3 mmt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.441 ' H ' ' HB2' ' A' ' 67' ' ' GLU . 68.9 mtm180 61.05 27.76 17.57 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 124.803 1.241 . . . . 0.0 111.726 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -89.64 170.64 10.29 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.502 -176.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.555 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 16.4 ptpt -78.63 178.77 7.57 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.394 0.678 . . . . 0.0 111.564 -174.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.637 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -56.73 -53.85 52.97 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 124.383 1.073 . . . . 0.0 111.224 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -58.08 -54.49 46.34 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.931 1.292 . . . . 0.0 111.084 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.401 ' HG3' HD22 ' A' ' 3' ' ' LEU . 7.5 tpt -66.37 -27.56 67.96 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 114.649 -1.16 . . . . 0.0 110.751 -175.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -67.47 -48.81 66.08 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.74 -48.44 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 123.945 0.778 . . . . 0.0 111.44 -177.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.423 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 45.9 m -57.92 -41.84 83.54 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.525 0.73 . . . . 0.0 111.019 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -72.92 -33.88 66.23 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.666 178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.5 -41.45 93.18 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 125.111 1.364 . . . . 0.0 110.771 -177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 84.0 mt -65.43 -35.57 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.235 177.294 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.7 mpt_? -74.47 -29.06 61.3 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.172 0.589 . . . . 0.0 111.386 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 50.1 mtt180 -61.87 -43.4 98.91 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.326 0.65 . . . . 0.0 111.305 177.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 4.5 m -72.33 -36.63 55.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.91 -176.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.76 -29.66 68.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.789 0.436 . . . . 0.0 110.063 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.1 77.37 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 123.554 0.534 . . . . 0.0 110.55 171.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -83.55 -9.79 58.71 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.687 0.795 . . . . 0.0 111.854 174.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.02 -9.93 65.73 Favored Glycine 0 C--N 1.348 1.203 0 CA-C-O 119.946 -0.363 . . . . 0.0 113.421 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.24 -176.99 50.52 Favored Glycine 0 C--N 1.352 1.465 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.584 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.5 t80 -112.82 153.83 27.23 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.832 0.853 . . . . 0.0 110.47 -173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.468 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.08 163.9 31.16 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.48 0.712 . . . . 0.0 111.749 171.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -176.63 135.77 0.24 Allowed 'General case' 0 C--N 1.35 0.605 0 O-C-N 125.005 1.44 . . . . 0.0 108.81 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 p -82.89 119.77 33.01 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-O 121.187 0.518 . . . . 0.0 110.09 177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -80.93 -66.08 0.93 Allowed 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.334 1.054 . . . . 0.0 110.503 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -99.64 142.86 30.57 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.491 0.716 . . . . 0.0 110.648 -175.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -120.53 132.72 55.31 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.318 1.047 . . . . 0.0 109.449 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.01 -134.02 4.2 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-O 119.917 -0.38 . . . . 0.0 112.54 177.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.66 132.84 35.31 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.381 0.672 . . . . 0.0 110.613 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -69.37 -41.23 76.81 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.605 0.762 . . . . 0.0 112.703 -172.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.555 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -90.92 -55.67 3.47 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.099 0.56 . . . . 0.0 112.098 -173.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.45 7.36 20.76 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 123.775 0.83 . . . . 0.0 112.736 -168.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.67 150.81 49.92 Favored Glycine 0 C--N 1.346 1.111 0 O-C-N 123.001 0.188 . . . . 0.0 113.507 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.41 162.87 28.43 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 174.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.637 HD11 ' HB3' ' A' ' 5' ' ' SER . 15.3 mm -137.76 105.08 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.128 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' HB2' HD12 ' A' ' 96' ' ' LEU . 52.0 m-85 -107.67 113.35 26.57 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.408 0.623 . . . . 0.0 109.654 176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.5 t -108.35 130.06 61.63 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.334 0 C-N-CA 124.2 1.0 . . . . 0.0 109.099 -172.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 7.1 ptp180 -106.0 128.23 53.69 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 177.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -107.74 120.04 41.13 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.214 0.605 . . . . 0.0 109.884 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.549 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 29.3 ttp180 -80.88 113.86 19.38 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 170.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.464 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.4 mm? -76.94 155.54 32.67 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.504 0.722 . . . . 0.0 109.818 172.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -68.64 -17.98 64.2 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.023 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -64.42 -21.68 66.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.432 1.093 . . . . 0.0 111.809 176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.82 -15.37 44.75 Favored Glycine 0 C--N 1.343 0.947 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -170.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -83.74 178.54 7.89 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.913 0.885 . . . . 0.0 111.478 -178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.549 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 40.0 mt-10 -142.75 146.14 34.0 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.468 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.513 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 1.0 OUTLIER -104.58 164.28 11.87 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.611 167.614 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 HD22 ' A' ' 85' ' ' LEU . 0.7 OUTLIER -131.64 141.08 49.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 173.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 56.0 m-85 -127.19 153.38 46.14 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 124.422 1.089 . . . . 0.0 108.488 -178.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.37 166.05 30.04 Favored Glycine 0 N--CA 1.459 0.206 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -69.52 112.53 3.06 Favored 'Trans proline' 0 C--N 1.364 1.369 0 C-N-CA 121.922 1.748 . . . . 0.0 110.531 177.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.96 148.55 87.94 Favored Pre-proline 0 N--CA 1.473 0.722 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.042 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -58.74 91.27 0.07 OUTLIER 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.709 2.272 . . . . 0.0 110.991 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -55.6 117.97 4.09 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.906 -1.043 . . . . 0.0 109.04 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 p -74.07 79.06 1.72 Allowed 'General case' 0 CA--C 1.539 0.519 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.617 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 27.3 p90 -91.72 142.4 27.64 Favored 'General case' 0 C--N 1.349 0.568 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.581 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.19 115.62 26.33 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 124.151 0.98 . . . . 0.0 108.741 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.5 t70 63.42 23.64 13.79 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 124.984 1.313 . . . . 0.0 111.993 174.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 64.02 16.68 10.11 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 124.352 1.061 . . . . 0.0 113.163 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -79.25 -54.09 6.31 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 18.8 t70 -57.54 -16.12 9.13 Favored 'General case' 0 CA--C 1.561 1.372 0 C-N-CA 124.934 1.294 . . . . 0.0 113.282 -175.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 47.3 mm -47.82 -51.13 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.658 1.183 . . . . 0.0 111.332 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.48 -18.96 10.27 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.797 -177.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.6 mmt180 -72.94 -14.5 61.47 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 122.609 0.364 . . . . 0.0 111.105 172.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.97 155.84 45.46 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.318 1.047 . . . . 0.0 109.155 171.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.441 ' HB2' ' H ' ' A' ' 2' ' ' ARG . 27.7 tt0 -85.38 140.92 30.37 Favored 'General case' 0 C--O 1.242 0.685 0 C-N-CA 122.559 0.344 . . . . 0.0 110.142 177.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.1 ptp180 -66.84 123.45 20.2 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.974 0.796 . . . . 0.0 109.659 173.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.0 ttt180 -94.41 154.77 17.29 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -101.1 175.99 5.41 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.437 0.695 . . . . 0.0 110.924 -175.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -144.59 160.67 40.76 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.912 1.285 . . . . 0.0 108.781 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.1 m -93.96 100.9 12.97 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -68.51 -54.08 19.13 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.532 0.733 . . . . 0.0 110.523 -177.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.5 mt -121.23 155.86 33.7 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 0.0 109.374 174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.38 123.92 12.45 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.563 0.345 . . . . 0.0 111.006 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.513 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 65.19 30.19 77.21 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 123.987 0.805 . . . . 0.0 114.008 172.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.55 159.08 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.881 0.873 . . . . 0.0 110.145 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 13.4 pt-20 -72.02 166.26 22.59 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.124 0.569 . . . . 0.0 111.288 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -20.95 65.81 Favored Glycine 0 C--N 1.346 1.123 0 CA-C-N 115.471 -0.786 . . . . 0.0 114.237 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.403 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 15.8 tp10 -57.96 -48.63 79.39 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.064 0.945 . . . . 0.0 110.066 172.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -70.5 -34.76 72.71 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.651 0.78 . . . . 0.0 111.895 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.426 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.9 mm -65.06 -52.56 51.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 122.868 0.467 . . . . 0.0 110.003 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.74 -29.36 69.86 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.358 177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.443 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -61.59 -39.26 90.54 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 123.746 0.654 . . . . 0.0 111.09 178.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.453 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -80.94 -43.83 19.16 Favored 'General case' 0 C--N 1.348 0.534 0 O-C-N 123.061 0.226 . . . . 0.0 111.512 176.416 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.5 mt -58.53 -28.07 65.1 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.899 0.479 . . . . 0.0 111.319 -176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.83 -36.07 64.9 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.654 0.596 . . . . 0.0 109.996 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.443 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 75.0 mtp180 -74.48 -35.82 63.27 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.223 0.609 . . . . 0.0 110.969 -176.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -74.18 -44.86 51.82 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.243 -179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 -65.06 -29.03 69.89 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 123.402 0.439 . . . . 0.0 111.614 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.31 -48.15 79.28 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.692 0.797 . . . . 0.0 110.488 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -86.16 -20.36 28.72 Favored 'General case' 0 CA--C 1.552 1.031 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.49 -173.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -166.43 101.79 0.61 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.142 0.977 . . . . 0.0 108.575 -178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 17.8 t -77.31 -1.88 32.1 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.354 0.662 . . . . 0.0 111.656 -178.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -90.03 14.8 11.38 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.094 0.558 . . . . 0.0 112.421 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 37' ' ' PHE . 2.6 pt? -77.12 151.61 35.3 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 166.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -105.94 124.26 49.28 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 86.1 t -98.21 116.12 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 N-CA-C 107.569 -1.271 . . . . 0.0 107.569 176.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -114.83 119.47 61.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.483 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.7 pt-20 -87.22 107.9 18.69 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 173.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 pt -103.72 157.63 5.24 Favored 'Isoleucine or valine' 0 C--O 1.241 0.633 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 169.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 1.5 tm-20 -142.48 107.57 4.95 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -171.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -172.35 164.52 5.78 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.729 0.812 . . . . 0.0 109.816 -172.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -92.63 -29.34 16.17 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.794 0.838 . . . . 0.0 111.029 178.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -116.15 148.91 39.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.307 1.043 . . . . 0.0 110.203 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.465 HG12 HD11 ' A' ' 112' ' ' LEU . 9.8 tp -114.58 -35.16 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.02 -29.49 74.51 Favored Glycine 0 C--N 1.35 1.343 0 N-CA-C 114.178 0.431 . . . . 0.0 114.178 -168.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -80.44 -10.93 59.74 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.71 0.804 . . . . 0.0 112.477 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.563 HD13 HG12 ' A' ' 16' ' ' VAL . 2.5 pp -138.19 -0.64 2.02 Favored 'General case' 0 N--CA 1.486 1.346 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -171.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.43 HD23 HD11 ' A' ' 106' ' ' ILE . 56.5 tp -163.67 138.81 6.25 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.228 1.011 . . . . 0.0 108.989 174.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.6 m -99.94 132.36 45.34 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 123.645 0.778 . . . . 0.0 111.088 -176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.465 HD11 HG12 ' A' ' 106' ' ' ILE . 21.8 mt -130.18 147.98 51.97 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.854 0.862 . . . . 0.0 111.117 -175.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 22.7 m -81.11 -26.84 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.199 1.0 . . . . 0.0 109.828 169.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -82.91 -67.14 0.81 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.984 0.914 . . . . 0.0 110.666 -171.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -67.74 148.73 98.49 Favored Pre-proline 0 CA--C 1.553 1.086 0 C-N-CA 122.87 0.468 . . . . 0.0 110.359 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.66 165.26 26.05 Favored 'Trans proline' 0 C--N 1.377 2.06 0 C-N-CA 122.433 2.089 . . . . 0.0 112.538 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -78.75 -176.65 5.04 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.817 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 123.229 0.612 . . . . 0.0 109.462 -178.712 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.4 mtt . . . . . 0 N--CA 1.478 0.972 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 60.23 82.68 0.15 Allowed 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 124.011 0.924 . . . . 0.0 109.856 -171.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.43 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -140.57 178.31 7.41 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.407 -1.27 . . . . 0.0 109.976 -172.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.6 mtmm -80.39 168.34 19.11 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.047 0.539 . . . . 0.0 111.39 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.578 ' HB3' HD11 ' A' ' 36' ' ' ILE . 15.8 m -60.59 -44.42 96.25 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.418 1.087 . . . . 0.0 111.694 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -66.39 -35.31 80.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 tpt -75.25 -28.45 59.86 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.523 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.43 ' HD1' HD11 ' A' ' 3' ' ' LEU . 72.0 t80 -75.76 -48.29 22.4 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 122.722 0.409 . . . . 0.0 109.963 -178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -60.37 -43.64 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 O-C-N 123.644 0.59 . . . . 0.0 110.414 -179.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.427 ' O ' ' HG2' ' A' ' 14' ' ' ARG . 45.1 t -59.68 -47.45 85.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.921 0.763 . . . . 0.0 110.246 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.08 -34.98 79.71 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.838 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.65 -40.35 88.65 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 123.912 0.885 . . . . 0.0 109.689 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.532 HD11 HG23 ' A' ' 25' ' ' VAL . 83.8 mt -63.23 -33.66 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.942 0 CA-C-N 114.968 -1.014 . . . . 0.0 110.667 177.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' SER . 17.8 mmt180 -71.06 -34.13 70.93 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 122.066 -0.396 . . . . 0.0 110.161 176.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 92.6 mtt180 -64.68 -43.03 94.84 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 123.681 0.613 . . . . 0.0 110.624 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.589 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -73.27 -39.85 56.44 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.878 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -69.52 -32.45 71.3 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 177.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.82 -34.25 77.72 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.03 0.532 . . . . 0.0 111.068 172.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.19 -24.84 54.75 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.684 0.793 . . . . 0.0 111.457 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.8 -8.48 23.7 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 123.287 0.47 . . . . 0.0 113.332 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.75 -166.3 35.03 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 123.349 0.5 . . . . 0.0 113.381 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -128.24 158.23 38.71 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.348 1.059 . . . . 0.0 108.949 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.589 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 160.0 38.53 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.637 0.775 . . . . 0.0 110.367 173.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.5 125.78 1.05 Allowed 'General case' 0 CA--C 1.535 0.39 0 O-C-N 124.4 1.063 . . . . 0.0 109.292 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.532 HG23 HD11 ' A' ' 13' ' ' ILE . 85.2 t -73.1 104.61 2.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.46 -66.38 0.56 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.958 0.503 . . . . 0.0 109.682 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 61.1 tttp -102.33 143.83 31.59 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.725 0.81 . . . . 0.0 110.438 -175.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -124.96 138.45 54.23 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.997 0.919 . . . . 0.0 109.622 179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.6 -132.52 3.37 Favored Glycine 0 C--N 1.343 0.92 0 CA-C-O 119.796 -0.447 . . . . 0.0 112.04 173.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.39 127.31 32.32 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.688 0.795 . . . . 0.0 111.386 -174.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 52.0 mt-10 -63.67 -40.42 96.77 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.022 0.929 . . . . 0.0 112.683 -173.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.0 -50.73 4.97 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.57 0.748 . . . . 0.0 112.021 -176.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.82 28.23 8.66 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.286 0.635 . . . . 0.0 112.332 -168.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.58 140.05 19.29 Favored Glycine 0 C--N 1.34 0.791 0 CA-C-N 116.686 -0.234 . . . . 0.0 112.631 175.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -67.58 152.92 44.82 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 171.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.5 mm -124.79 113.92 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.6 m-85 -114.38 112.65 23.38 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.977 0.911 . . . . 0.0 109.877 176.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.1 t -109.17 130.73 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 124.148 0.979 . . . . 0.0 108.963 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -109.25 121.64 45.6 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.015 0.926 . . . . 0.0 108.917 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.581 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 3.8 tp60 -92.21 115.49 28.12 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.729 1.211 . . . . 0.0 110.396 -176.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' A' ' 102' ' ' GLU . 28.1 ttm180 -89.54 100.32 13.15 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.406 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.0 mm? -69.69 145.93 51.96 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 ppt_? -62.96 -15.44 55.89 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.53 -24.68 67.91 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.059 0.944 . . . . 0.0 111.842 174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.16 1.74 56.95 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -169.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -91.78 170.71 9.68 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 123.95 0.9 . . . . 0.0 109.053 177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 35.1 mt-10 -143.15 145.88 33.22 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.224 0.61 . . . . 0.0 110.973 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.581 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -107.96 170.72 7.82 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.406 1.083 . . . . 0.0 108.333 167.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.568 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -140.9 141.25 34.58 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 176.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 42.4 m-85 -129.58 147.6 51.4 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 124.098 0.959 . . . . 0.0 108.902 -177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.54 166.83 25.73 Favored Glycine 0 N--CA 1.46 0.259 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -70.36 118.76 5.87 Favored 'Trans proline' 0 C--N 1.364 1.358 0 C-N-CA 122.488 2.125 . . . . 0.0 110.796 177.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 141.46 91.1 Favored Pre-proline 0 CA--C 1.546 0.825 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -67.91 96.72 0.45 Allowed 'Trans proline' 0 C--N 1.377 2.043 0 C-N-CA 122.512 2.141 . . . . 0.0 110.917 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -65.21 154.64 37.47 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-N 114.931 -1.032 . . . . 0.0 110.989 -175.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.1 m -75.37 89.4 2.62 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 176.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -105.48 133.21 50.61 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.954 0.502 . . . . 0.0 110.755 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -110.8 125.49 53.63 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.275 1.03 . . . . 0.0 108.528 173.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.1 t70 66.35 17.35 10.67 Favored 'General case' 0 N--CA 1.487 1.383 0 C-N-CA 124.779 1.232 . . . . 0.0 111.783 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 59.84 21.8 10.71 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.103 0.961 . . . . 0.0 112.353 -176.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -78.46 -49.13 13.98 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 120.889 0.376 . . . . 0.0 110.112 178.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.0 m-20 -59.8 -15.18 18.57 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -173.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 49.3 mm -48.38 -43.54 12.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 124.55 1.14 . . . . 0.0 111.819 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.439 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -121.6 -10.22 8.83 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 124.06 0.944 . . . . 0.0 111.11 178.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 18.7 mmm-85 -88.14 -5.53 58.38 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.605 0.762 . . . . 0.0 111.582 176.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -148.18 138.84 22.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.181 0.992 . . . . 0.0 109.787 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -80.53 119.91 23.82 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.313 0.645 . . . . 0.0 109.311 177.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -75.61 143.03 42.52 Favored 'General case' 0 C--O 1.243 0.759 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.994 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.3 ttm180 -87.27 161.13 18.15 Favored 'General case' 0 C--O 1.241 0.637 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 171.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.443 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 4.1 m-85 -100.2 174.71 6.02 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.242 0.617 . . . . 0.0 110.599 -177.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -138.05 167.53 21.61 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.244 1.417 . . . . 0.0 108.346 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.2 m -102.54 102.05 12.27 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 10.8 mmt180 -63.59 -59.71 4.27 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.569 0.748 . . . . 0.0 109.973 177.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.1 mt -122.1 155.38 35.8 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.744 0.817 . . . . 0.0 109.475 179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -146.94 121.41 9.7 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.561 0.345 . . . . 0.0 111.356 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.478 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 69.05 31.54 72.39 Favored Glycine 0 C--N 1.35 1.354 0 O-C-N 123.907 0.754 . . . . 0.0 113.503 173.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.01 -177.03 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.495 1.118 . . . . 0.0 109.795 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.0 pt-20 -93.94 167.34 11.67 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.605 0.362 . . . . 0.0 110.097 175.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.94 -23.64 65.95 Favored Glycine 0 C--N 1.348 1.209 0 N-CA-C 114.601 0.6 . . . . 0.0 114.601 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -70.25 -42.54 72.07 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 122.858 0.463 . . . . 0.0 110.51 176.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.536 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 15.8 mm-40 -61.15 -38.03 84.98 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 122.982 0.513 . . . . 0.0 110.212 177.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.537 ' HA ' HD12 ' A' ' 49' ' ' LEU . 50.5 mm -60.38 -57.07 13.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-N 114.823 -1.08 . . . . 0.0 110.275 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.44 -26.99 68.69 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.653 0.781 . . . . 0.0 111.719 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.42 71.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.651 0.781 . . . . 0.0 111.303 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tt -81.29 -36.48 29.77 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 122.086 0.154 . . . . 0.0 110.771 174.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 95.3 mt -60.11 -27.05 66.71 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 122.99 0.516 . . . . 0.0 109.964 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.82 -44.9 72.53 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 125.221 1.409 . . . . 0.0 110.29 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.6 mtp180 -66.48 -47.52 72.8 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.682 0.393 . . . . 0.0 111.051 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -69.14 -37.59 78.35 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.576 0.751 . . . . 0.0 112.102 -175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.6 ptt180 -66.01 -28.59 68.99 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 123.305 0.378 . . . . 0.0 110.975 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.1 tpt180 -60.44 -35.18 75.21 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.062 0.945 . . . . 0.0 111.26 179.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -94.0 -51.6 4.79 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.857 0.863 . . . . 0.0 110.279 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -120.47 94.03 4.23 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.909 1.283 . . . . 0.0 109.834 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.3 t -66.81 -15.7 63.77 Favored 'General case' 0 CA--C 1.552 1.046 0 CA-C-O 121.231 0.539 . . . . 0.0 109.72 166.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -70.37 -6.55 36.26 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 125.074 1.35 . . . . 0.0 112.821 178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 0.5 OUTLIER -73.14 154.93 40.14 Favored 'General case' 0 CA--C 1.55 0.963 0 CA-C-O 121.129 0.49 . . . . 0.0 111.317 -175.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 22.4 m95 -116.98 126.89 53.58 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.283 1.433 . . . . 0.0 108.297 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 57.8 t -100.45 118.45 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 173.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.474 HG22 HG22 ' A' ' 25' ' ' VAL . 18.3 t -111.98 118.92 58.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 173.461 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -85.44 127.84 34.53 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 171.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.449 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.5 pt -120.28 150.45 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 174.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.559 ' HG2' ' HD2' ' A' ' 41' ' ' ARG . 1.3 tm-20 -127.73 103.95 7.58 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.094 -1.446 . . . . 0.0 107.094 -176.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.475 HG21 HD21 ' A' ' 109' ' ' LEU . 2.0 t -167.58 159.77 12.39 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.532 1.133 . . . . 0.0 108.871 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -85.19 -21.66 29.06 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.172 0.589 . . . . 0.0 110.8 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -132.82 142.32 48.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.561 0.744 . . . . 0.0 110.477 -174.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.6 tp -101.9 -29.77 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 123.718 0.807 . . . . 0.0 110.827 -179.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -80.0 31.36 2.29 Favored Glycine 0 C--N 1.353 1.522 0 N-CA-C 115.012 0.765 . . . . 0.0 115.012 -170.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -137.47 -4.46 1.85 Allowed 'General case' 0 CA--C 1.554 1.105 0 C-N-CA 123.723 0.809 . . . . 0.0 110.147 173.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.567 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -143.92 1.74 1.15 Allowed 'General case' 0 C--N 1.363 1.168 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -172.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -162.86 142.39 9.01 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.016 0.927 . . . . 0.0 109.197 170.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.9 m -104.82 134.49 47.86 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.22 1.008 . . . . 0.0 110.746 -176.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -131.17 156.73 44.8 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.365 1.066 . . . . 0.0 110.502 -173.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.3 m -96.0 -31.3 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 124.367 1.067 . . . . 0.0 109.951 174.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -74.8 -52.25 11.91 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 123.637 0.775 . . . . 0.0 110.193 -174.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -66.75 143.25 97.98 Favored Pre-proline 0 CA--C 1.549 0.926 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.539 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -60.01 111.81 1.1 Allowed 'Trans proline' 0 C--N 1.379 2.151 0 C-N-CA 122.801 2.334 . . . . 0.0 111.558 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -69.36 99.98 1.29 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.956 0.902 . . . . 0.0 108.744 -178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.302 0 C-N-CA 124.972 1.309 . . . . 0.0 109.778 -168.452 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.642 0.258 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' HD2' ' HA ' ' A' ' 66' ' ' ALA . 21.6 mtm180 59.37 88.17 0.07 Allowed 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 124.261 1.025 . . . . 0.0 110.203 -176.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.77 168.24 11.27 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -174.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 9.3 ptpp? -72.08 171.92 11.05 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 172.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' HG ' HH12 ' A' ' 68' ' ' ARG . 7.1 m -54.65 -49.13 71.32 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 123.292 0.637 . . . . 0.0 112.059 -177.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -58.03 -55.37 35.8 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.018 1.327 . . . . 0.0 111.528 178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 tpt -72.39 -24.07 61.2 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 114.706 -1.134 . . . . 0.0 110.69 -173.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -71.25 -46.03 61.92 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.68 -47.46 92.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 O-C-N 123.889 0.743 . . . . 0.0 109.947 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.4 t -59.34 -37.84 78.87 Favored 'General case' 0 CA--C 1.551 1.008 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.32 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.36 -36.76 63.6 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.319 0.648 . . . . 0.0 111.229 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.91 -38.51 86.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.888 1.275 . . . . 0.0 110.969 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.571 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.9 mt -65.54 -35.57 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.586 177.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -71.81 -32.66 67.82 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.509 0.324 . . . . 0.0 110.529 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 93.8 mtt180 -63.58 -42.95 98.25 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.367 0.667 . . . . 0.0 110.659 179.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.606 HG21 ' HB2' ' A' ' 23' ' ' ALA . 7.7 m -73.63 -43.54 54.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 119.259 -0.401 . . . . 0.0 111.05 -176.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -64.93 -35.81 82.37 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.858 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.0 -23.47 63.14 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 123.205 0.602 . . . . 0.0 111.634 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.24 -14.61 40.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.455 0.702 . . . . 0.0 111.73 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.04 25.09 7.66 Favored Glycine 0 C--N 1.352 1.427 0 C-N-CA 122.772 0.225 . . . . 0.0 112.933 179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -120.34 -179.27 16.32 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 123.798 0.713 . . . . 0.0 112.735 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 87.4 t80 -113.22 158.99 19.78 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.082 0.953 . . . . 0.0 109.54 -176.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.606 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.48 158.39 26.5 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 123.194 0.598 . . . . 0.0 111.819 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.91 142.65 2.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.579 1.152 . . . . 0.0 109.28 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 t -90.94 107.3 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.69 -62.82 1.36 Allowed 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.408 0.683 . . . . 0.0 111.093 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -109.19 148.15 31.39 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.003 0.521 . . . . 0.0 110.242 -175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -126.83 141.35 51.84 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.588 1.155 . . . . 0.0 109.499 178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.99 -137.11 4.04 Favored Glycine 0 C--O 1.24 0.524 0 O-C-N 123.525 0.516 . . . . 0.0 111.874 172.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.59 127.5 32.78 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.079 0.551 . . . . 0.0 109.677 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -73.75 -29.84 62.46 Favored 'General case' 0 C--O 1.214 -0.798 0 C-N-CA 123.1 0.56 . . . . 0.0 112.129 -171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.486 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.04 -58.22 2.64 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.128 0.571 . . . . 0.0 111.88 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.02 13.55 14.85 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -169.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.24 148.49 50.86 Favored Glycine 0 C--N 1.343 0.972 0 N-CA-C 113.572 0.189 . . . . 0.0 113.572 178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.78 162.08 29.93 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 175.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mm -135.77 107.45 7.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 -177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.538 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 24.9 m-85 -108.14 112.92 25.68 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.65 136.76 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -175.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.597 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 6.7 ptp180 -108.9 117.65 34.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.504 0.722 . . . . 0.0 109.088 175.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.456 ' HA ' HG13 ' A' ' 101' ' ' ILE . 41.0 tt0 -87.17 129.81 34.79 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 173.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.503 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 54.2 ttp180 -104.49 145.13 30.72 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 122.748 0.419 . . . . 0.0 110.542 179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.69 146.96 42.4 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 124.51 1.124 . . . . 0.0 110.095 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.426 ' HD3' ' H ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -60.48 -21.2 62.12 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.469 1.107 . . . . 0.0 111.583 169.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -68.65 -15.94 63.68 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.358 1.063 . . . . 0.0 111.48 178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.32 -6.33 57.8 Favored Glycine 0 C--N 1.349 1.255 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.937 -174.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -92.53 171.58 8.93 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.346 0.658 . . . . 0.0 111.31 -176.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.503 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 31.5 mt-10 -149.32 164.62 34.36 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.785 1.234 . . . . 0.0 110.279 -178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 22.8 m-80 -128.52 157.65 40.59 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.955 1.302 . . . . 0.0 107.701 176.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.626 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -126.59 140.25 52.57 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 176.127 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -128.72 162.04 28.31 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.327 1.051 . . . . 0.0 108.863 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.83 170.47 33.66 Favored Glycine 0 N--CA 1.462 0.427 0 CA-C-O 118.753 -1.026 . . . . 0.0 110.891 176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -65.65 117.32 4.52 Favored 'Trans proline' 0 C--N 1.364 1.376 0 CA-C-N 119.932 1.866 . . . . 0.0 110.581 175.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.89 158.96 73.09 Favored Pre-proline 0 N--CA 1.477 0.913 0 C-N-CA 123.356 0.662 . . . . 0.0 110.918 177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -65.87 78.75 0.28 Allowed 'Trans proline' 0 C--N 1.38 2.218 0 C-N-CA 122.493 2.129 . . . . 0.0 111.417 170.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -76.57 129.61 36.7 Favored 'General case' 0 C--N 1.344 0.363 0 N-CA-C 107.899 -1.149 . . . . 0.0 107.899 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.0 p -69.62 84.4 0.44 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.306 0.642 . . . . 0.0 110.412 177.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -84.21 137.68 33.37 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.051 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.69 75.9 8.16 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.004 0.922 . . . . 0.0 108.818 179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.9 t70 61.66 57.5 2.23 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 124.379 1.072 . . . . 0.0 110.092 -174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 62.57 16.38 8.74 Favored 'General case' 0 N--CA 1.488 1.446 0 C-N-CA 125.274 1.429 . . . . 0.0 114.184 176.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.1 -57.74 6.22 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 122.61 0.364 . . . . 0.0 110.279 174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -63.68 -8.65 10.82 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -171.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 45.0 mm -63.38 -36.24 75.4 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.159 0 C-N-CA 123.533 0.733 . . . . 0.0 110.319 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 39.7 mtm -121.46 -37.74 2.87 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.573 1.149 . . . . 0.0 111.145 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.6 mmm-85 -83.2 -11.07 58.22 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.825 1.25 . . . . 0.0 110.493 -173.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HA ' ' HD2' ' A' ' 2' ' ' ARG . . . -132.88 156.97 46.22 Favored 'General case' 0 C--O 1.243 0.758 0 C-N-CA 125.2 1.4 . . . . 0.0 107.458 167.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -81.29 114.48 20.11 Favored 'General case' 0 C--O 1.24 0.568 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.428 HH12 ' HG ' ' A' ' 5' ' ' SER . 10.1 ptp180 -59.6 132.06 52.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.151 0.98 . . . . 0.0 110.393 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -101.96 148.9 24.79 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.934 -1.135 . . . . 0.0 107.934 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.403 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.8 m-85 -100.44 168.66 9.6 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 123.213 0.605 . . . . 0.0 110.983 -171.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -125.15 167.51 14.71 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 125.438 1.495 . . . . 0.0 107.812 171.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 48.5 m -103.87 104.47 14.47 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 15.3 mmt180 -66.17 -59.4 3.8 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.785 0.834 . . . . 0.0 110.008 177.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 66.6 mt -125.27 159.88 30.61 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.237 1.015 . . . . 0.0 109.253 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.67 133.12 11.94 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.01 29.54 72.92 Favored Glycine 0 C--N 1.355 1.588 0 O-C-N 123.732 0.645 . . . . 0.0 113.752 176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.6 m -102.1 -178.34 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 124.621 1.169 . . . . 0.0 109.331 -177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -91.14 167.07 12.62 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.774 -0.579 . . . . 0.0 110.131 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -25.63 70.89 Favored Glycine 0 C--N 1.345 1.082 0 CA-C-N 115.9 -0.591 . . . . 0.0 113.822 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -57.78 -46.27 84.82 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.741 0.816 . . . . 0.0 110.467 174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.643 0.777 . . . . 0.0 111.124 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.626 HG23 ' HG ' ' A' ' 49' ' ' LEU . 39.8 mm -62.88 -56.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.94 -177.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.47 -23.68 64.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.579 -178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.8 -38.88 87.35 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.562 0.745 . . . . 0.0 111.247 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tp -81.28 -39.91 24.52 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.188 176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD21 HD21 ' A' ' 49' ' ' LEU . 96.4 mt -57.89 -28.31 64.09 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.015 0.526 . . . . 0.0 111.462 176.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.414 ' HA ' ' NH1' ' A' ' 90' ' ' ARG . 14.5 tp10 -61.46 -45.83 92.62 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.743 1.617 . . . . 0.0 110.951 169.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 73.6 mtp180 -73.81 -50.8 18.75 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.002 0.921 . . . . 0.0 111.334 -175.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -63.47 -37.76 88.53 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.752 1.221 . . . . 0.0 112.09 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 87' ' ' GLU . 11.4 ptt-85 -65.19 -28.91 69.72 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.704 0.627 . . . . 0.0 111.533 176.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.414 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 69.3 ttt180 -66.19 -44.48 83.82 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 122.984 0.514 . . . . 0.0 110.621 176.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -70.43 -38.93 74.62 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.713 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -161.09 102.96 1.27 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.909 -175.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 26.5 t -77.47 -3.35 40.02 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 124.261 1.025 . . . . 0.0 112.665 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -83.43 17.96 1.98 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -80.05 150.36 30.38 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 121.06 0.457 . . . . 0.0 110.243 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -107.32 125.39 51.12 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 176.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 92.5 t -103.02 117.18 48.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -111.19 118.33 57.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.597 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 7.1 pt-20 -85.68 105.31 16.14 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 172.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.456 HG13 ' HA ' ' A' ' 40' ' ' GLN . 32.9 pt -108.14 150.1 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 173.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.438 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 33.5 tt0 -124.16 121.46 35.17 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 109' ' ' LEU . 8.9 t -169.93 166.41 9.39 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 -177.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -102.28 -39.4 7.23 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 172.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -98.97 114.5 27.18 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.225 0.61 . . . . 0.0 109.907 -178.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.489 HG12 HD11 ' A' ' 112' ' ' LEU . 10.1 tp -91.22 -37.21 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.169 -176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -66.77 -15.62 64.73 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 114.612 0.605 . . . . 0.0 114.612 -170.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.1 t -86.67 -25.02 25.04 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.351 0.66 . . . . 0.0 111.779 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.595 HD13 HG12 ' A' ' 16' ' ' VAL . 1.6 pp -122.84 -12.03 8.08 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -170.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 50.4 tp -153.4 130.28 10.95 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.017 0.927 . . . . 0.0 108.632 176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 8.9 m -90.61 132.38 35.78 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 122.685 0.394 . . . . 0.0 111.303 -174.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.489 HD11 HG12 ' A' ' 106' ' ' ILE . 28.8 mt -126.83 143.56 51.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.938 0.895 . . . . 0.0 110.647 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 23.2 m -81.71 -23.33 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 124.281 1.032 . . . . 0.0 110.227 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -94.28 -59.61 1.92 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.333 0.653 . . . . 0.0 111.439 -171.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -70.78 164.35 56.47 Favored Pre-proline 0 N--CA 1.485 1.315 0 C-N-CA 123.653 0.781 . . . . 0.0 111.417 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -40.14 138.62 1.15 Allowed 'Trans proline' 0 C--N 1.398 3.178 0 C-N-CA 124.128 3.218 . . . . 0.0 114.514 175.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -62.68 -55.87 22.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.876 1.27 . . . . 0.0 110.637 -172.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-N 114.318 -1.31 . . . . 0.0 107.959 -177.052 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.524 ' SD ' HD21 ' A' ' 3' ' ' LEU . 15.9 ptp . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.276 0.56 . . . . 0.0 110.5 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -83.74 100.37 10.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.756 0.823 . . . . 0.0 109.328 175.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.558 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -151.02 174.65 12.91 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.8 0.84 . . . . 0.0 111.067 -176.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.9 ptpp? -75.71 171.77 13.77 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.846 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.683 ' HB3' HD11 ' A' ' 36' ' ' ILE . 16.2 m -62.55 -44.5 96.18 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.371 1.068 . . . . 0.0 111.705 -175.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -59.54 -49.39 77.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.562 1.145 . . . . 0.0 111.351 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.558 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.8 tpt -71.7 -23.84 61.71 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 114.766 -1.106 . . . . 0.0 110.457 -174.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -72.12 -44.22 63.52 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 5' ' ' SER . 97.9 t -61.55 -49.51 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 O-C-N 123.774 0.671 . . . . 0.0 109.926 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.467 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.1 t -53.15 -49.95 65.55 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 124.094 0.871 . . . . 0.0 110.221 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -61.27 -37.22 82.36 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.704 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.8 tt -66.12 -40.59 90.8 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.988 0.915 . . . . 0.0 110.44 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.7 mp -56.34 -47.19 81.65 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.191 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 173.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.467 ' HD3' ' O ' ' A' ' 10' ' ' SER . 5.3 mpt_? -65.22 -34.28 77.99 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.147 0.579 . . . . 0.0 110.834 179.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.456 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 52.6 mtt180 -61.23 -45.3 95.12 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.545 0.738 . . . . 0.0 111.211 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -73.02 -36.22 50.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.137 -175.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -69.6 -28.57 66.07 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 122.968 0.507 . . . . 0.0 110.905 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -29.81 69.37 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.218 0.607 . . . . 0.0 110.619 172.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.62 -28.02 31.05 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.715 0.806 . . . . 0.0 111.156 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 120.03 -17.39 9.94 Favored Glycine 0 C--N 1.35 1.314 0 C-N-CA 123.359 0.504 . . . . 0.0 113.372 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.07 -175.49 42.36 Favored Glycine 0 C--N 1.348 1.249 0 C-N-CA 123.603 0.621 . . . . 0.0 113.93 -177.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -118.32 154.54 32.16 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.144 0.978 . . . . 0.0 109.093 -174.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' HB2' HG22 ' A' ' 101' ' ' ILE . . . -157.96 164.73 36.54 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.495 0.718 . . . . 0.0 110.866 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.21 143.38 1.89 Allowed 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.038 0.836 . . . . 0.0 110.324 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.13 105.82 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 122.938 0.495 . . . . 0.0 109.862 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -76.56 -65.43 0.93 Allowed 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.398 0.679 . . . . 0.0 111.085 177.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 63.8 tttp -102.28 145.93 28.74 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.363 0.665 . . . . 0.0 109.24 178.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -132.24 126.77 34.26 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.835 0.854 . . . . 0.0 109.705 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.05 -131.42 3.64 Favored Glycine 0 C--N 1.345 1.073 0 CA-C-O 119.821 -0.433 . . . . 0.0 112.466 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.87 130.39 35.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.404 0.681 . . . . 0.0 110.62 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -71.32 -40.96 70.44 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.089 0.555 . . . . 0.0 112.311 -171.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -95.03 -53.3 3.87 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.3 0.64 . . . . 0.0 111.119 176.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.88 -8.09 59.28 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 123.977 0.911 . . . . 0.0 113.396 -168.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.02 155.71 48.18 Favored Glycine 0 C--N 1.343 0.931 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 -172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.62 158.54 18.84 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.845 0.858 . . . . 0.0 108.984 171.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.683 HD11 ' HB3' ' A' ' 5' ' ' SER . 38.3 mm -125.89 124.81 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.286 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.558 ' HE2' ' HE ' ' A' ' 73' ' ' ARG . 77.4 m-85 -127.13 113.83 16.91 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 124.471 1.108 . . . . 0.0 108.974 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.6 t -108.63 132.42 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 123.629 0.772 . . . . 0.0 109.106 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -105.69 146.39 29.83 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 5.2 tp60 -128.84 146.68 50.86 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.586 1.155 . . . . 0.0 109.677 -169.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.2 ttt180 -125.64 120.75 31.6 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.015 0.526 . . . . 0.0 109.689 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -102.54 152.52 21.06 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.75 0.82 . . . . 0.0 111.047 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.662 HH11 ' HB3' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -51.59 -26.96 9.74 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 125.062 1.345 . . . . 0.0 113.421 170.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -68.95 -13.45 62.45 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 124.279 1.032 . . . . 0.0 112.304 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 84.54 15.44 68.47 Favored Glycine 0 C--N 1.344 0.99 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -171.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.2 mmt180 -108.82 163.69 13.05 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.833 0.853 . . . . 0.0 109.341 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -140.14 148.27 41.41 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.896 0.878 . . . . 0.0 109.634 -172.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -120.06 168.82 10.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.747 0.819 . . . . 0.0 110.419 178.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -141.91 141.99 33.02 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 175.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.466 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 48.8 m-85 -126.81 155.25 43.17 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.092 0.957 . . . . 0.0 109.362 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.08 168.45 29.49 Favored Glycine 0 N--CA 1.463 0.459 0 CA-C-O 119.132 -0.816 . . . . 0.0 111.744 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.59 112.22 3.17 Favored 'Trans proline' 0 C--N 1.365 1.421 0 C-N-CA 122.18 1.92 . . . . 0.0 110.665 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.15 139.61 90.22 Favored Pre-proline 0 CA--C 1.548 0.874 0 C-N-CA 122.804 0.442 . . . . 0.0 110.913 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -77.13 88.62 1.39 Allowed 'Trans proline' 0 C--N 1.376 2.004 0 C-N-CA 122.922 2.415 . . . . 0.0 111.887 -174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -69.57 158.87 34.44 Favored 'General case' 0 CA--C 1.546 0.792 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.934 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.8 m -85.57 64.76 8.81 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.625 0.726 . . . . 0.0 109.638 177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -74.43 149.69 40.3 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.128 -176.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.22 129.7 51.24 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.763 0.825 . . . . 0.0 109.247 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 63.95 19.02 11.56 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 124.9 1.28 . . . . 0.0 112.252 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 t70 64.87 13.96 8.9 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.446 1.098 . . . . 0.0 111.097 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -71.66 -61.66 1.7 Allowed 'General case' 0 C--N 1.346 0.448 0 C-N-CA 123.327 0.651 . . . . 0.0 109.985 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.01 -15.94 10.86 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.501 1.121 . . . . 0.0 113.393 -169.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 46.2 mm -47.64 -44.32 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 125.078 1.351 . . . . 0.0 111.583 174.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.463 ' SD ' ' HG2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -131.12 -20.78 2.7 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.049 0.94 . . . . 0.0 111.204 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HG2' ' SD ' ' A' ' 64' ' ' MET . 54.9 mmm-85 -75.22 -2.08 26.3 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.309 0.643 . . . . 0.0 111.101 174.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -140.71 149.06 41.7 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.532 1.133 . . . . 0.0 108.449 169.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -67.06 97.56 0.51 Allowed 'General case' 0 C--N 1.353 0.738 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.5 ptt180 -54.74 119.35 5.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.154 0.982 . . . . 0.0 110.567 170.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 21.7 ttm180 -83.73 157.45 22.14 Favored 'General case' 0 C--O 1.242 0.689 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -99.61 173.82 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.205 0.526 . . . . 0.0 110.399 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -132.64 168.04 19.0 Favored 'General case' 0 C--N 1.32 -0.717 0 C-N-CA 125.076 1.35 . . . . 0.0 107.776 175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 m -100.18 106.09 17.75 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 175.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.558 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 12.3 mmt180 -63.47 -57.56 9.83 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 123.852 0.861 . . . . 0.0 110.145 177.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.9 mt -126.01 151.92 46.44 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.432 0.693 . . . . 0.0 109.73 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -155.58 138.34 15.22 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.111 0.564 . . . . 0.0 110.56 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.74 25.91 72.99 Favored Glycine 0 C--N 1.35 1.353 0 O-C-N 123.847 0.717 . . . . 0.0 113.279 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.4 m -108.69 -169.95 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 123.833 0.853 . . . . 0.0 109.661 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.0 pt-20 -111.47 170.81 7.87 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.24 0.616 . . . . 0.0 110.428 175.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.06 -22.35 66.76 Favored Glycine 0 C--N 1.348 1.218 0 O-C-N 123.74 0.65 . . . . 0.0 113.979 -179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.63 -39.66 84.66 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 122.972 0.509 . . . . 0.0 109.981 176.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.509 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 9.5 mm-40 -69.44 -37.72 77.52 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.31 177.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.3 mm -58.85 -56.55 16.02 Favored 'Isoleucine or valine' 0 C--N 1.349 0.569 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.988 178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.39 -28.62 69.4 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.26 0.624 . . . . 0.0 111.597 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.12 99.63 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.112 0.565 . . . . 0.0 111.193 176.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.412 HD22 HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -80.9 -35.78 32.06 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.335 -179.291 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -57.6 -30.04 64.99 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 122.788 0.435 . . . . 0.0 110.783 173.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.48 -44.3 71.44 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.051 1.34 . . . . 0.0 110.395 172.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -68.35 -41.4 80.76 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.366 0.667 . . . . 0.0 111.715 -177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -76.45 -37.16 57.37 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.605 0.762 . . . . 0.0 111.042 -175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -64.32 -28.6 69.82 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 123.422 0.451 . . . . 0.0 111.5 177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -61.56 -35.92 79.14 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.365 0.666 . . . . 0.0 110.478 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -92.75 -30.49 15.49 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.511 0.724 . . . . 0.0 111.301 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -144.38 80.54 1.64 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.587 1.155 . . . . 0.0 109.062 -172.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.2 t -69.15 -15.99 63.54 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.199 0.6 . . . . 0.0 110.819 178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.47 17.47 4.51 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 124.29 1.036 . . . . 0.0 111.781 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 pp -77.64 161.28 27.92 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.246 0.546 . . . . 0.0 109.903 173.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -117.04 128.81 55.53 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.45 1.1 . . . . 0.0 108.689 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.488 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 93.1 t -99.54 128.28 51.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 173.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.7 t -120.67 125.05 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -85.7 134.55 33.96 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 169.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.455 HG22 ' HB2' ' A' ' 23' ' ' ALA . 47.8 pt -132.4 126.0 54.66 Favored 'Isoleucine or valine' 0 C--O 1.244 0.804 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 170.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -109.98 99.68 8.75 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 107.645 -1.242 . . . . 0.0 107.645 178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.494 HG23 HE22 ' A' ' 40' ' ' GLN . 3.2 t -162.24 154.09 18.74 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.107 -175.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.662 ' HB3' HH11 ' A' ' 43' ' ' ARG . 35.9 m-20 -98.94 3.75 47.15 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 122.924 0.489 . . . . 0.0 111.465 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -145.2 137.99 26.2 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.549 0.739 . . . . 0.0 109.396 175.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.3 tp -105.65 -40.86 5.91 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 C-N-CA 123.405 0.682 . . . . 0.0 111.613 -172.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.66 -28.59 70.13 Favored Glycine 0 C--N 1.347 1.171 0 O-C-N 123.397 0.436 . . . . 0.0 114.161 -168.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.5 t -75.8 -21.59 57.19 Favored 'General case' 0 CA--C 1.556 1.176 0 C-N-CA 124.041 0.936 . . . . 0.0 112.269 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -128.88 1.73 5.36 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 123.737 0.815 . . . . 0.0 112.796 -172.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD23 HD11 ' A' ' 106' ' ' ILE . 57.3 tp -168.38 123.99 0.98 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.392 1.077 . . . . 0.0 108.836 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 29.5 m -90.67 136.56 32.98 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.274 0.63 . . . . 0.0 111.156 -176.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD11 HG12 ' A' ' 106' ' ' ILE . 21.5 mt -127.01 149.05 50.07 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.512 1.125 . . . . 0.0 110.362 -174.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.8 m -81.12 -25.66 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.839 0.856 . . . . 0.0 111.154 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -99.06 -58.82 1.85 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.836 0.855 . . . . 0.0 111.386 -176.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -73.83 153.93 89.11 Favored Pre-proline 0 N--CA 1.485 1.306 0 C-N-CA 122.892 0.477 . . . . 0.0 110.549 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.06 149.07 86.13 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.494 2.13 . . . . 0.0 112.172 -177.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -78.62 -4.05 46.95 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.573 -177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.439 0 C-N-CA 123.85 0.86 . . . . 0.0 109.135 173.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.1 mtp . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -74.01 90.79 2.0 Allowed 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 121.586 0.708 . . . . 0.0 109.926 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.421 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -135.93 -175.16 3.88 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 124.671 1.189 . . . . 0.0 109.326 -179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 99.3 mttt -74.54 164.59 26.41 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.975 175.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.619 ' HB3' HD11 ' A' ' 36' ' ' ILE . 12.5 m -60.97 -35.06 75.79 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 123.967 0.907 . . . . 0.0 110.785 173.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -65.65 -55.6 16.62 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.724 1.21 . . . . 0.0 110.158 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.421 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.6 tpt -65.07 -26.4 68.22 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 114.238 -1.347 . . . . 0.0 110.651 -176.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.88 -52.5 56.21 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 122.748 0.419 . . . . 0.0 110.503 175.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' O ' HD13 ' A' ' 13' ' ' ILE . 47.1 t -67.52 -39.96 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 O-C-N 123.974 0.796 . . . . 0.0 110.535 -176.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -58.09 -39.51 78.76 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.181 0.592 . . . . 0.0 110.48 176.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -74.91 -32.2 61.74 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 123.379 0.672 . . . . 0.0 111.44 175.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD11 HG21 ' A' ' 38' ' ' VAL . 3.3 tt -64.37 -44.68 90.62 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 124.273 1.029 . . . . 0.0 110.308 -176.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.597 HG22 ' HE ' ' A' ' 14' ' ' ARG . 1.5 mp -56.54 -41.9 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.367 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 175.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.597 ' HE ' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -65.61 -36.12 82.8 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 123.311 0.644 . . . . 0.0 111.801 177.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 55.7 mtp180 -63.19 -46.88 84.99 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 -178.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG21 ' HB2' ' A' ' 23' ' ' ALA . 6.3 m -71.41 -39.8 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.724 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.062 -175.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -67.64 -31.25 71.13 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.375 0.67 . . . . 0.0 110.652 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.4 -24.38 62.93 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.151 0.58 . . . . 0.0 110.807 173.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.84 -2.32 58.19 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.691 0.796 . . . . 0.0 111.826 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.34 26.78 27.13 Favored Glycine 0 C--N 1.352 1.419 0 O-C-N 123.03 0.206 . . . . 0.0 113.34 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.42 -163.94 13.13 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 123.366 0.507 . . . . 0.0 112.501 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 t80 -129.7 156.02 44.95 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 124.48 1.112 . . . . 0.0 109.737 -174.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -162.27 158.7 24.66 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.831 0.852 . . . . 0.0 110.903 174.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.24 131.76 2.37 Favored 'General case' 0 C--N 1.351 0.67 0 O-C-N 124.209 0.943 . . . . 0.0 110.205 178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.4 t -78.49 102.74 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 123.754 0.821 . . . . 0.0 109.43 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -79.09 -41.27 29.07 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.505 0.722 . . . . 0.0 111.801 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -128.24 144.22 51.1 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.251 0.62 . . . . 0.0 109.464 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 84.7 tttt -129.51 120.9 26.16 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.21 1.004 . . . . 0.0 109.741 -176.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.38 -142.31 8.89 Favored Glycine 0 C--N 1.339 0.734 0 CA-C-O 119.681 -0.511 . . . . 0.0 112.216 177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.34 130.65 44.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.52 0.728 . . . . 0.0 111.178 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.459 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 43.5 mt-10 -65.25 -46.15 81.71 Favored 'General case' 0 C--O 1.215 -0.745 0 C-N-CA 123.035 0.534 . . . . 0.0 111.678 -174.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.14 -42.1 8.76 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 122.894 0.477 . . . . 0.0 111.596 -177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.91 21.43 17.41 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.421 0.688 . . . . 0.0 112.849 -167.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.0 145.34 17.74 Favored Glycine 0 N--CA 1.471 1.011 0 N-CA-C 114.092 0.397 . . . . 0.0 114.092 -173.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.65 159.18 32.43 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 169.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.619 HD11 ' HB3' ' A' ' 5' ' ' SER . 20.8 mm -133.94 121.43 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 -177.316 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -125.51 113.93 18.1 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.404 1.082 . . . . 0.0 108.885 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 HD11 ' A' ' 12' ' ' LEU . 43.1 t -113.13 149.54 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 C-N-CA 124.294 1.038 . . . . 0.0 109.206 -175.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.524 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 11.2 ptp180 -122.58 120.9 35.16 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -87.5 121.17 29.59 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 36.2 ttm180 -94.6 129.34 41.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 177.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.8 mm? -97.93 167.14 11.1 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.989 0.916 . . . . 0.0 110.605 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -63.62 -21.12 66.2 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.871 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.92 -23.75 62.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.116 1.367 . . . . 0.0 112.084 -177.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.95 -3.67 62.53 Favored Glycine 0 C--N 1.343 0.968 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -168.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -91.1 170.37 10.08 Favored 'General case' 0 C--N 1.347 0.459 0 C-N-CA 123.708 0.803 . . . . 0.0 110.638 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.5 mt-10 -144.01 161.21 39.35 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.751 0.821 . . . . 0.0 111.371 -175.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.526 ' ND2' HD21 ' A' ' 42' ' ' LEU . 29.7 m-80 -111.98 170.9 7.83 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.004 1.322 . . . . 0.0 108.624 173.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD13 HG23 ' A' ' 82' ' ' ILE . 17.6 tp -135.85 142.89 44.85 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 170.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -131.67 157.81 42.75 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 124.594 1.157 . . . . 0.0 108.328 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.53 175.69 30.27 Favored Glycine 0 N--CA 1.465 0.616 0 CA-C-O 118.611 -1.105 . . . . 0.0 110.482 175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -71.49 120.36 6.89 Favored 'Trans proline' 0 C--N 1.361 1.207 0 CA-C-N 120.206 2.003 . . . . 0.0 110.379 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.22 146.62 98.91 Favored Pre-proline 0 C--O 1.244 0.812 0 CA-C-O 119.095 -0.478 . . . . 0.0 109.734 177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.34 86.72 0.41 Allowed 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.297 1.998 . . . . 0.0 110.481 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.8 tp60 -61.61 104.08 0.39 Allowed 'General case' 0 C--N 1.349 0.567 0 CA-C-N 114.581 -1.191 . . . . 0.0 109.651 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 52.8 p -69.94 83.74 0.49 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.846 0.831 . . . . 0.0 110.083 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -69.86 146.52 51.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.206 -177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -104.25 110.46 22.69 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 107.633 -1.247 . . . . 0.0 107.633 170.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t70 66.85 26.42 9.32 Favored 'General case' 0 N--CA 1.495 1.819 0 C-N-CA 124.059 0.944 . . . . 0.0 111.815 176.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 62.97 19.73 11.81 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 124.481 1.113 . . . . 0.0 112.281 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -66.64 -57.27 7.54 Favored 'General case' 0 C--N 1.348 0.514 0 C-N-CA 122.918 0.487 . . . . 0.0 110.1 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -56.41 -17.77 9.04 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 124.834 1.254 . . . . 0.0 114.155 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.9 mm -56.97 -36.12 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.198 0 C-N-CA 124.361 1.064 . . . . 0.0 110.886 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -141.65 -5.64 1.04 Allowed 'General case' 0 N--CA 1.478 0.961 0 CA-C-N 114.731 -1.122 . . . . 0.0 112.185 -171.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 48.7 mmm-85 -106.94 -0.72 22.94 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.404 1.081 . . . . 0.0 110.712 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.58 150.26 35.16 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.6 0.76 . . . . 0.0 109.681 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -69.44 136.67 51.87 Favored 'General case' 0 C--O 1.245 0.861 0 C-N-CA 123.919 0.888 . . . . 0.0 109.099 169.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.8 133.18 38.27 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 175.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 -95.06 157.85 15.71 Favored 'General case' 0 C--O 1.236 0.377 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' HD23 ' A' ' 112' ' ' LEU . 3.9 m-85 -100.9 166.38 10.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.614 0.366 . . . . 0.0 111.152 -173.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' HG22 ' A' ' 113' ' ' VAL . 12.2 pt-20 -121.97 144.45 48.87 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 124.654 1.181 . . . . 0.0 108.822 176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 30.6 m -87.6 109.64 19.8 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -77.03 -67.0 0.75 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.366 0.666 . . . . 0.0 109.825 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 71.6 mt -114.56 160.31 19.41 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.733 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.55 129.45 9.44 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.077 0.551 . . . . 0.0 110.391 177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.04 27.2 73.75 Favored Glycine 0 C--N 1.352 1.42 0 O-C-N 123.931 0.769 . . . . 0.0 113.731 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -102.46 -171.0 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.209 1.004 . . . . 0.0 110.42 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.6 pt-20 -103.6 168.29 9.24 Favored 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 123.006 0.522 . . . . 0.0 110.501 177.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.32 -23.62 64.62 Favored Glycine 0 C--N 1.352 1.458 0 O-C-N 123.86 0.725 . . . . 0.0 114.027 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.22 -39.56 75.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 122.91 0.484 . . . . 0.0 110.539 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 49.9 mm-40 -65.15 -36.06 83.04 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.825 0.45 . . . . 0.0 110.953 175.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.518 HG23 HD13 ' A' ' 49' ' ' LEU . 44.5 mm -62.9 -56.0 20.2 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.708 178.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.92 69.64 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.86 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.99 84.38 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.141 0.976 . . . . 0.0 112.468 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.6 tp -82.78 -41.96 18.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 120.463 0.173 . . . . 0.0 111.091 172.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 HD21 HD11 ' A' ' 49' ' ' LEU . 83.4 mt -59.98 -28.57 67.79 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -172.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 11.7 pt-20 -69.37 -34.57 74.75 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.701 0.626 . . . . 0.0 110.72 174.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -77.06 -34.41 57.11 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.448 1.099 . . . . 0.0 111.45 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -74.6 -41.33 60.65 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.552 178.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -72.05 -28.07 63.1 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 123.663 0.602 . . . . 0.0 111.328 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 87' ' ' GLU . 55.2 ttt180 -55.05 -49.42 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.249 1.02 . . . . 0.0 110.159 174.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -79.39 -48.2 14.42 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.578 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -142.33 99.26 3.47 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.599 1.16 . . . . 0.0 108.98 -175.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.0 t -77.27 -2.57 35.43 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.324 0.65 . . . . 0.0 111.141 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -79.74 10.53 3.97 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.473 0.709 . . . . 0.0 112.179 176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -77.87 161.83 27.31 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 121.577 0.703 . . . . 0.0 109.618 168.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.423 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 19.3 m95 -111.5 135.95 51.36 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 174.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.8 t -112.06 124.27 68.62 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -125.94 129.17 72.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.524 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 10.8 pt-20 -98.09 126.52 43.57 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.398 -0.964 . . . . 0.0 108.398 169.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 35.1 pt -122.87 141.35 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 174.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 41' ' ' ARG . 1.0 OUTLIER -119.48 108.86 15.05 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 6.7 t -161.34 154.22 20.81 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.141 0.496 . . . . 0.0 110.776 -173.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -74.6 -41.36 60.6 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.844 -175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -126.18 161.62 27.27 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.289 0.635 . . . . 0.0 110.448 178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.422 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -108.72 -24.77 3.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 123.393 0.677 . . . . 0.0 111.007 -177.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -64.34 -29.96 76.51 Favored Glycine 0 C--N 1.35 1.358 0 N-CA-C 114.921 0.728 . . . . 0.0 114.921 -165.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -83.92 -25.03 30.47 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 123.072 0.549 . . . . 0.0 112.296 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -121.54 1.26 10.07 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 -165.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 42.2 tp -161.4 148.96 15.0 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 172.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -112.43 131.82 55.36 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.048 0.539 . . . . 0.0 110.556 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.559 HD23 ' HB2' ' A' ' 70' ' ' PHE . 14.1 mt -128.11 167.38 16.85 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.182 0.993 . . . . 0.0 110.606 -174.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 71' ' ' GLU . 31.0 m -98.69 -11.07 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.039 0.936 . . . . 0.0 110.666 177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -109.69 -60.47 1.78 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.006 0.522 . . . . 0.0 111.796 -170.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -62.71 155.32 70.66 Favored Pre-proline 0 N--CA 1.486 1.348 0 C-N-CA 123.358 0.663 . . . . 0.0 112.24 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_exo -48.04 125.44 11.69 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.717 2.945 . . . . 0.0 112.815 167.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' NE2' ' HB2' ' A' ' 112' ' ' LEU . 86.3 mm-40 -116.3 171.25 7.94 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.1 0.96 . . . . 0.0 110.619 -177.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.284 0 C-N-CA 123.361 0.664 . . . . 0.0 110.79 -178.035 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mmm . . . . . 0 N--CA 1.476 0.83 0 CA-C-O 120.297 0.094 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.463 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 40.1 mtm180 61.51 88.27 0.09 Allowed 'General case' 0 C--O 1.238 0.462 0 C-N-CA 124.412 1.085 . . . . 0.0 110.626 -172.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.436 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 164.86 28.64 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 114.442 -1.253 . . . . 0.0 109.134 -178.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.586 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 17.2 ptpt -72.33 166.99 21.4 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 122.434 0.293 . . . . 0.0 110.309 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.639 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.2 m -62.71 -35.98 81.49 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 123.868 0.867 . . . . 0.0 112.031 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -68.13 -38.04 81.77 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.643 0.777 . . . . 0.0 110.971 175.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.436 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.6 tpt -76.84 -23.91 52.7 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.361 178.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -71.73 -45.66 61.07 Favored 'General case' 0 C--N 1.352 0.683 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 HG21 ' CE3' ' A' ' 97' ' ' TRP . 34.3 m -66.61 -39.06 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.72 0.638 . . . . 0.0 111.082 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.1 m -58.89 -47.38 85.17 Favored 'General case' 0 C--N 1.354 0.795 0 O-C-N 123.707 0.63 . . . . 0.0 109.99 177.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -68.32 -38.6 81.74 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.385 179.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.72 -42.34 92.86 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.43 1.092 . . . . 0.0 109.974 -175.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 25' ' ' VAL . 89.1 mt -61.6 -45.33 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.533 178.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -69.18 -24.84 64.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 122.253 -0.279 . . . . 0.0 110.987 178.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.1 mtp180 -67.44 -44.87 77.65 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.06 0.544 . . . . 0.0 110.973 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 109' ' ' LEU . 4.9 m -71.72 -36.22 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.573 -177.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 43.8 m-85 -70.03 -27.26 64.52 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.376 0.671 . . . . 0.0 110.65 176.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.48 -32.99 74.89 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 122.782 0.433 . . . . 0.0 110.675 169.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.64 -22.76 40.23 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.271 0.628 . . . . 0.0 111.581 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.17 -0.93 37.91 Favored Glycine 0 N--CA 1.475 1.259 0 CA-C-O 120.08 -0.289 . . . . 0.0 113.177 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.57 -164.14 28.05 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 122.971 0.32 . . . . 0.0 113.622 176.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.518 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 85.1 t80 -126.76 157.64 38.64 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 124.561 1.144 . . . . 0.0 109.265 -177.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.4 154.67 21.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.526 0.73 . . . . 0.0 110.581 173.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -165.7 130.69 2.41 Favored 'General case' 0 C--N 1.35 0.612 0 O-C-N 124.139 0.899 . . . . 0.0 110.4 -178.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.485 HG23 HD11 ' A' ' 13' ' ' ILE . 98.1 t -76.21 109.11 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 123.056 0.542 . . . . 0.0 109.732 176.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.1 mm-40 -77.01 -73.3 0.3 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.462 0.705 . . . . 0.0 110.06 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -93.05 146.68 23.46 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 122.699 0.4 . . . . 0.0 110.086 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 56.8 tttm -125.05 146.03 49.63 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.79 0.836 . . . . 0.0 109.706 177.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.11 -128.59 2.57 Favored Glycine 0 C--N 1.342 0.875 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.971 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.13 148.38 28.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.506 0.722 . . . . 0.0 112.008 -174.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 42.1 mt-10 -65.53 -62.51 1.48 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.505 0.722 . . . . 0.0 112.501 -176.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.85 -44.17 7.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.987 0.515 . . . . 0.0 111.334 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.68 4.34 44.38 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.736 0.814 . . . . 0.0 112.495 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -71.91 134.78 22.26 Favored Glycine 0 C--N 1.345 1.05 0 O-C-N 123.392 0.433 . . . . 0.0 112.941 -178.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -72.72 157.38 37.63 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 167.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.639 HD11 ' HB3' ' A' ' 5' ' ' SER . 34.2 mm -136.09 115.8 16.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 -177.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 67.9 m-85 -121.24 112.3 18.45 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.838 0.855 . . . . 0.0 109.689 177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -110.22 134.87 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 C-N-CA 124.471 1.109 . . . . 0.0 109.147 -174.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.539 HH11 ' HB3' ' A' ' 100' ' ' GLU . 11.3 ptp85 -106.79 135.96 47.43 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 175.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.424 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 53.1 tt0 -101.03 128.11 47.23 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -95.23 104.94 16.84 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.65 142.31 35.68 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.564 178.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -60.65 -13.23 13.33 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 124.181 0.992 . . . . 0.0 112.707 169.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -69.27 -14.58 63.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.687 0.795 . . . . 0.0 112.358 176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.76 16.89 59.15 Favored Glycine 0 C--N 1.347 1.183 0 N-CA-C 111.621 -0.592 . . . . 0.0 111.621 -169.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -116.28 170.42 8.54 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.151 0.98 . . . . 0.0 109.524 -178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.424 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 50.5 mt-10 -143.02 142.27 31.55 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.525 0.73 . . . . 0.0 110.455 177.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.527 ' ND2' ' H ' ' A' ' 76' ' ' GLY . 0.9 OUTLIER -102.62 172.32 6.92 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.022 0.929 . . . . 0.0 109.169 170.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 85' ' ' LEU . 0.8 OUTLIER -142.96 140.44 31.08 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.758 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 36.0 m-85 -130.3 146.46 51.9 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.395 1.078 . . . . 0.0 108.89 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 169.59 27.38 Favored Glycine 0 N--CA 1.465 0.569 0 CA-C-O 118.937 -0.924 . . . . 0.0 111.303 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -63.91 126.95 18.33 Favored 'Trans proline' 0 C--N 1.369 1.641 0 C-N-CA 122.5 2.134 . . . . 0.0 111.426 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.65 161.54 31.82 Favored Pre-proline 0 N--CA 1.474 0.773 0 C-N-CA 124.081 0.952 . . . . 0.0 111.259 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -56.5 104.67 0.15 Allowed 'Trans proline' 0 C--N 1.379 2.178 0 C-N-CA 122.758 2.306 . . . . 0.0 111.282 164.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -66.42 120.8 13.97 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.697 -178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.6 m -76.58 86.24 3.26 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.22 0.608 . . . . 0.0 109.76 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.456 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 36.2 p90 -86.42 148.45 25.56 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.974 -176.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.01 108.89 20.63 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.443 1.097 . . . . 0.0 108.051 170.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.1 t70 63.93 23.68 13.41 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.606 1.162 . . . . 0.0 112.018 176.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 63.74 18.07 10.88 Favored 'General case' 0 N--CA 1.495 1.784 0 C-N-CA 124.238 1.015 . . . . 0.0 112.763 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.08 -46.09 30.82 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 176.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.456 ' HB2' ' HA ' ' A' ' 57' ' ' PHE . 3.2 m-20 -63.17 -12.81 30.71 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.6 mm -55.34 -33.91 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 CA-C-O 121.785 0.802 . . . . 0.0 110.308 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 5.8 ptt? -126.32 -17.43 5.18 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.649 1.58 . . . . 0.0 110.735 -176.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -98.95 6.81 46.54 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 123.944 0.898 . . . . 0.0 111.561 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.23 159.1 44.68 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.254 1.022 . . . . 0.0 108.949 171.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -87.38 156.83 19.42 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.278 0.631 . . . . 0.0 109.896 175.527 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 ptp85 -69.9 117.03 10.96 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.312 176.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -84.45 154.26 22.86 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.41 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -100.58 174.41 6.09 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 122.864 0.466 . . . . 0.0 110.731 -171.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -138.57 168.49 19.66 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 125.313 1.445 . . . . 0.0 107.987 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.7 m -95.92 107.96 20.29 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' HE ' ' HE2' ' A' ' 37' ' ' PHE . 11.3 mmt180 -66.77 -61.6 1.88 Allowed 'General case' 0 C--N 1.351 0.663 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 174.747 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 69.2 mt -122.94 154.72 38.0 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.785 0.834 . . . . 0.0 109.411 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -145.94 117.44 8.02 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 122.465 0.306 . . . . 0.0 111.539 -174.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.527 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 66.77 31.84 79.5 Favored Glycine 0 C--N 1.349 1.276 0 O-C-N 123.719 0.637 . . . . 0.0 113.131 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 33.4 m -100.78 -167.42 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.057 0.943 . . . . 0.0 109.577 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -106.1 170.55 7.85 Favored 'General case' 0 N--CA 1.483 1.224 0 O-C-N 122.106 -0.371 . . . . 0.0 110.897 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.68 -24.2 67.82 Favored Glycine 0 C--N 1.351 1.396 0 CA-C-N 115.848 -0.614 . . . . 0.0 114.477 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -59.48 -46.37 89.0 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.697 0.799 . . . . 0.0 110.509 173.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -69.42 -39.26 78.0 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 115.393 -0.822 . . . . 0.0 111.089 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' HA ' HD12 ' A' ' 49' ' ' LEU . 48.4 mm -58.45 -53.22 49.61 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 O-C-N 123.881 0.738 . . . . 0.0 109.892 178.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -28.07 67.87 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.436 0.694 . . . . 0.0 111.925 179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.63 -38.2 88.73 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.114 0.566 . . . . 0.0 111.233 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 0.7 OUTLIER -80.99 -40.6 24.07 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-N 116.689 -0.232 . . . . 0.0 110.885 177.119 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -57.76 -28.1 63.64 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 122.667 0.387 . . . . 0.0 110.401 177.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -66.09 -45.81 79.88 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.102 1.361 . . . . 0.0 110.561 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' NH1' HD12 ' A' ' 85' ' ' LEU . 66.3 mtp180 -66.68 -48.08 70.44 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.254 0.622 . . . . 0.0 110.429 -177.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -70.07 -36.49 74.99 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.288 0.635 . . . . 0.0 111.283 -174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -69.27 -29.95 67.95 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 123.402 0.439 . . . . 0.0 111.21 175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.37 -42.43 99.41 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.994 0.918 . . . . 0.0 109.64 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -75.58 -54.97 6.15 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.466 0.706 . . . . 0.0 110.03 173.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -136.58 102.81 5.04 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.876 0.87 . . . . 0.0 110.52 -171.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 25.2 t -77.87 -3.28 40.88 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.301 0.64 . . . . 0.0 111.605 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -78.09 9.04 4.01 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.176 0.59 . . . . 0.0 112.201 176.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.5 pt? -74.98 147.9 40.42 Favored 'General case' 0 C--N 1.357 0.925 0 CA-C-O 121.246 0.546 . . . . 0.0 110.549 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.427 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 14.6 m95 -106.21 127.2 53.05 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 175.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 91.0 t -102.02 116.21 45.25 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 176.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.6 t -116.28 121.51 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.539 ' HB3' HH11 ' A' ' 39' ' ' ARG . 10.2 pt-20 -91.59 109.67 20.98 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 173.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 37.7 pt -102.5 139.82 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.518 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 32.6 tt0 -118.32 109.16 15.97 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 t -159.81 162.75 34.83 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 121.367 0.603 . . . . 0.0 110.916 -174.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -79.04 -41.6 28.46 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.905 1.282 . . . . 0.0 110.118 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -130.56 163.46 27.04 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 124.189 0.996 . . . . 0.0 110.349 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.516 HG12 HD11 ' A' ' 112' ' ' LEU . 9.3 tp -117.33 -41.14 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -170.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.72 -30.28 74.46 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 123.237 0.336 . . . . 0.0 113.837 -168.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.8 t -70.7 -27.99 64.4 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 123.624 0.769 . . . . 0.0 112.276 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -122.98 2.31 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 C-N-CA 123.587 0.755 . . . . 0.0 112.819 -171.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.5 tp -170.92 126.67 0.71 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.961 0.905 . . . . 0.0 109.186 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.1 m -86.68 136.05 33.17 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 122.769 0.428 . . . . 0.0 111.358 -179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.516 HD11 HG12 ' A' ' 106' ' ' ILE . 27.4 mt -128.46 139.7 52.21 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.735 1.214 . . . . 0.0 109.268 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.64 -24.42 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 123.649 0.779 . . . . 0.0 110.592 176.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -89.56 -58.78 2.4 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.509 0.723 . . . . 0.0 111.188 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -74.16 154.71 88.41 Favored Pre-proline 0 N--CA 1.479 1.007 0 C-N-CA 122.677 0.391 . . . . 0.0 111.009 179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -55.9 123.78 14.67 Favored 'Trans proline' 0 C--N 1.382 2.318 0 C-N-CA 123.014 2.476 . . . . 0.0 112.109 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -82.8 -52.43 6.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.997 0.919 . . . . 0.0 109.51 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.258 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.725 -178.494 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' SD ' HD23 ' A' ' 3' ' ' LEU . 45.2 ttm . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 94.21 2.29 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 124.164 0.986 . . . . 0.0 108.753 172.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.497 HD23 ' SD ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -141.86 -176.24 4.7 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.052 0.941 . . . . 0.0 111.255 -176.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -67.01 157.97 32.14 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.883 171.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.634 ' HB3' HD11 ' A' ' 36' ' ' ILE . 23.9 m -62.66 -35.69 80.45 Favored 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.2 1.0 . . . . 0.0 110.795 174.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -65.6 -46.9 77.56 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 124.594 1.157 . . . . 0.0 110.386 173.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.454 ' HG3' HD22 ' A' ' 3' ' ' LEU . 5.7 tpt -68.62 -22.49 64.42 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.378 -178.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.404 ' CE2' HD12 ' A' ' 12' ' ' LEU . 68.8 t80 -75.91 -47.54 24.87 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 123.089 0.556 . . . . 0.0 109.836 179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.2 m -66.87 -37.41 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 O-C-N 123.425 0.453 . . . . 0.0 111.345 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.3 t -58.42 -44.05 88.94 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 123.953 0.783 . . . . 0.0 110.287 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.405 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -71.26 -37.16 71.94 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.458 177.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.404 HD12 ' CE2' ' A' ' 8' ' ' PHE . 4.7 tt -63.31 -42.27 99.01 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.542 1.137 . . . . 0.0 110.433 -173.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' HG22 ' A' ' 16' ' ' VAL . 69.2 mt -57.89 -45.3 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 CA-C-N 114.484 -1.234 . . . . 0.0 110.842 179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -72.88 -24.02 60.8 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 119.215 -0.421 . . . . 0.0 111.933 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 46.0 mtp180 -59.98 -46.83 88.16 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.648 0.379 . . . . 0.0 110.29 175.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 109' ' ' LEU . 3.6 m -73.59 -36.9 48.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.874 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -66.52 -28.35 68.48 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.324 0.65 . . . . 0.0 111.023 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -30.05 69.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.133 0.573 . . . . 0.0 111.086 171.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.51 4.68 53.06 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.643 0.777 . . . . 0.0 111.599 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.05 -8.29 78.68 Favored Glycine 0 C--N 1.353 1.508 0 C-N-CA 122.937 0.304 . . . . 0.0 113.636 177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -76.37 -179.97 47.62 Favored Glycine 0 C--N 1.344 0.99 0 C-N-CA 122.994 0.33 . . . . 0.0 113.798 178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -114.78 155.12 27.3 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.355 1.062 . . . . 0.0 109.603 -174.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.03 155.23 30.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.202 0.601 . . . . 0.0 111.33 175.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -166.96 121.05 1.03 Allowed 'General case' 0 C--N 1.347 0.489 0 O-C-N 124.426 1.079 . . . . 0.0 109.212 178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 p -77.73 96.71 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.554 1.116 0 CA-C-O 121.745 0.783 . . . . 0.0 110.027 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.62 -64.58 0.83 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.836 1.255 . . . . 0.0 111.275 -178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -98.01 145.16 26.78 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 122.799 0.44 . . . . 0.0 110.256 -178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -122.76 137.64 54.86 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.903 0.881 . . . . 0.0 109.338 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.29 -134.37 3.94 Favored Glycine 0 C--N 1.34 0.753 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 173.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.01 137.49 35.09 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.516 0.726 . . . . 0.0 111.093 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.43 -56.25 19.97 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.063 0.545 . . . . 0.0 112.167 -174.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.02 -57.59 2.76 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 122.651 0.38 . . . . 0.0 111.615 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -86.62 4.72 39.15 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.35 153.47 47.98 Favored Glycine 0 C--N 1.346 1.091 0 CA-C-O 120.113 -0.271 . . . . 0.0 112.823 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -85.77 165.43 16.9 Favored 'General case' 0 N--CA 1.479 0.982 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 171.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.683 HG12 HH21 ' A' ' 68' ' ' ARG . 41.8 mm -134.71 123.49 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 41.5 m-85 -123.15 113.05 18.45 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.984 0.914 . . . . 0.0 108.748 175.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -109.27 131.93 58.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 123.856 0.862 . . . . 0.0 109.084 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.491 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 2.0 ptm180 -108.6 115.87 30.91 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.49 0.716 . . . . 0.0 109.648 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.592 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.6 tt0 -80.66 149.75 29.68 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 174.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -129.82 120.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 124.37 1.068 . . . . 0.0 108.167 173.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.3 mm? -83.71 137.89 33.55 Favored 'General case' 0 C--O 1.245 0.841 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 172.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -60.42 -14.69 20.43 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.881 0.872 . . . . 0.0 112.111 175.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.93 -42.18 77.1 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 125.006 1.322 . . . . 0.0 110.834 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 144.55 -15.03 2.03 Favored Glycine 0 C--N 1.345 1.055 0 CA-C-N 116.003 -0.544 . . . . 0.0 113.413 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' HD23 ' A' ' 42' ' ' LEU . 10.2 mmt180 -88.96 163.53 15.52 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 117.478 0.639 . . . . 0.0 111.009 -174.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -126.83 170.51 12.12 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.507 1.123 . . . . 0.0 109.819 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.592 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 12.8 m-80 -143.95 162.66 35.58 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.461 1.504 . . . . 0.0 107.955 174.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.6 OUTLIER -134.39 142.05 47.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 174.42 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 53.7 m-85 -132.95 148.92 52.27 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 124.531 1.132 . . . . 0.0 108.367 -178.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.02 177.62 24.27 Favored Glycine 0 N--CA 1.466 0.654 0 CA-C-O 119.129 -0.817 . . . . 0.0 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.476 ' HB3' ' HD2' ' A' ' 68' ' ' ARG . 23.0 Cg_exo -65.81 117.59 4.77 Favored 'Trans proline' 0 C--N 1.365 1.428 0 C-N-CA 122.321 2.014 . . . . 0.0 110.84 176.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.39 155.79 73.13 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 123.513 0.725 . . . . 0.0 110.988 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.38 85.39 0.45 Allowed 'Trans proline' 0 C--N 1.376 1.996 0 C-N-CA 122.234 1.956 . . . . 0.0 110.325 173.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -59.98 139.75 57.21 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 114.806 -1.088 . . . . 0.0 109.922 -176.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.8 m -77.57 73.03 4.15 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 121.456 0.646 . . . . 0.0 109.41 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.493 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 23.3 p90 -90.82 147.0 23.48 Favored 'General case' 0 C--N 1.347 0.48 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.186 -175.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.66 104.04 14.85 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 169.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t70 66.0 19.16 11.19 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 124.83 1.252 . . . . 0.0 111.779 173.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 69.12 9.13 7.22 Favored 'General case' 0 N--CA 1.498 1.941 0 C-N-CA 125.223 1.409 . . . . 0.0 112.961 -176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 33.4 mm-40 -67.68 -46.16 73.12 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.45 0.643 . . . . 0.0 109.641 172.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.493 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 37.5 t70 -63.93 -18.16 63.95 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 113.985 -1.461 . . . . 0.0 112.781 -173.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.456 HD11 ' CD2' ' A' ' 57' ' ' PHE . 45.3 mm -56.37 -40.85 69.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 CA-C-O 121.972 0.891 . . . . 0.0 110.15 173.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 34.9 mtm -99.1 2.22 45.85 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.755 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 61' ' ' GLU . 15.8 mmt180 -111.58 -23.94 10.4 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 123.337 0.655 . . . . 0.0 110.861 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -134.87 143.34 46.93 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 123.898 0.879 . . . . 0.0 109.494 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 126.76 28.49 Favored 'General case' 0 C--O 1.246 0.895 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 173.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.683 HH21 HG12 ' A' ' 36' ' ' ILE . 13.0 ptt180 -73.35 122.27 21.77 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.432 ' HD3' HG22 ' A' ' 111' ' ' THR . 30.0 ttm-85 -77.26 164.96 25.1 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -102.21 164.8 11.49 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.733 0.413 . . . . 0.0 111.39 -176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -127.57 155.16 44.26 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.827 1.251 . . . . 0.0 108.351 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 37.5 m -87.79 102.85 15.07 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.463 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.0 mmm180 -72.04 -56.31 5.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.575 0.75 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.424 ' HB2' ' HB2' ' A' ' 49' ' ' LEU . 92.6 mt -121.8 158.56 28.6 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.668 0.787 . . . . 0.0 109.748 175.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.54 138.27 16.15 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.025 0.53 . . . . 0.0 110.874 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.14 31.75 62.36 Favored Glycine 0 C--N 1.354 1.544 0 O-C-N 123.893 0.746 . . . . 0.0 113.511 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.5 m -100.0 -165.98 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.609 1.164 . . . . 0.0 110.099 -175.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -118.47 170.89 8.55 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.318 0.647 . . . . 0.0 110.386 172.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.28 -22.04 66.9 Favored Glycine 0 C--N 1.349 1.293 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.603 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.51 -41.87 83.75 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.035 0.534 . . . . 0.0 110.158 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -66.75 -37.21 84.19 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.423 0.689 . . . . 0.0 111.274 176.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.469 ' HA ' HD12 ' A' ' 49' ' ' LEU . 47.1 mm -62.86 -56.6 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.811 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.73 68.35 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.726 178.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -60.39 -44.66 95.44 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 123.824 0.703 . . . . 0.0 110.619 175.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.414 HD22 HD13 ' A' ' 49' ' ' LEU . 1.2 tp -78.43 -44.94 23.48 Favored 'General case' 0 C--N 1.351 0.659 0 O-C-N 123.323 0.39 . . . . 0.0 111.505 178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.57 -35.23 65.53 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.58 0.55 . . . . 0.0 111.65 -174.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -29.1 63.86 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 123.811 0.695 . . . . 0.0 110.473 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 68.0 mtt180 -73.09 -52.07 15.66 Favored 'General case' 0 C--N 1.358 0.963 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -69.18 -38.28 78.59 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.87 -1.059 . . . . 0.0 111.636 -172.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -66.05 -29.3 69.62 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 123.55 0.531 . . . . 0.0 111.876 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -61.86 -48.74 79.19 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.518 0.727 . . . . 0.0 109.856 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -75.11 -52.9 9.85 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.36 0.664 . . . . 0.0 110.635 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -134.5 97.15 3.73 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.253 1.021 . . . . 0.0 108.984 -175.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.7 t -76.46 -5.52 47.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 123.577 0.751 . . . . 0.0 111.958 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -71.69 -2.7 18.27 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 112.694 0.627 . . . . 0.0 112.694 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -72.7 154.14 40.84 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-O 121.565 0.698 . . . . 0.0 110.186 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.5 m95 -107.85 151.65 25.47 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 93.9 t -124.01 122.96 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.3 t -120.25 122.84 69.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 175.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 9.6 pt-20 -85.31 129.8 34.73 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.549 HG13 ' HA ' ' A' ' 40' ' ' GLN . 46.1 pt -126.59 135.95 62.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.031 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -117.23 110.26 17.91 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.425 HG23 HE21 ' A' ' 40' ' ' GLN . 5.1 t -164.81 157.24 16.2 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 123.45 0.7 . . . . 0.0 110.953 -174.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -69.45 -51.16 38.84 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.061 0.944 . . . . 0.0 111.243 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -105.67 172.56 6.73 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.948 -173.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.4 tp -132.73 -40.45 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -58.55 -40.8 95.02 Favored Glycine 0 C--N 1.351 1.373 0 O-C-N 123.448 0.467 . . . . 0.0 114.028 -167.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.5 t -69.3 -31.85 70.61 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.577 0.751 . . . . 0.0 111.76 -177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.588 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -112.74 3.03 16.29 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.642 0.777 . . . . 0.0 112.349 -170.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 59.5 tp -174.36 116.04 0.2 Allowed 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.853 1.261 . . . . 0.0 108.247 173.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.432 HG22 ' HD3' ' A' ' 69' ' ' ARG . 19.6 m -83.03 138.17 33.84 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.076 0.55 . . . . 0.0 111.182 -175.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 26.4 mt -127.26 152.22 47.71 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.853 0.861 . . . . 0.0 110.836 -177.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 32.9 m -88.23 -23.17 6.51 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.395 1.078 . . . . 0.0 109.392 170.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -83.08 -62.82 1.49 Allowed 'General case' 0 C--N 1.346 0.45 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.118 -174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -78.84 124.0 85.08 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.345 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.23 148.6 49.97 Favored 'Trans proline' 0 C--N 1.37 1.71 0 C-N-CA 122.427 2.085 . . . . 0.0 111.437 178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -78.4 -29.32 47.18 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.549 0.739 . . . . 0.0 109.483 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.25 0 C-N-CA 124.068 0.947 . . . . 0.0 108.863 173.819 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.57 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 42.1 mtm180 62.28 73.97 0.45 Allowed 'General case' 0 N--CA 1.472 0.672 0 CA-C-O 122.058 0.932 . . . . 0.0 109.837 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.516 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -123.17 171.46 9.31 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.758 -170.545 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.588 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 17.9 ptpt -78.41 172.7 13.24 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.297 0.373 . . . . 0.0 110.235 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.635 ' HB3' HD11 ' A' ' 36' ' ' ILE . 11.3 m -58.98 -47.68 84.29 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.541 1.136 . . . . 0.0 111.726 -176.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -63.84 -39.9 95.31 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.578 177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.516 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 6.4 tpt -69.59 -23.97 63.61 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.315 -176.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -76.66 -49.15 16.86 Favored 'General case' 0 C--N 1.356 0.886 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 176.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.7 m -62.52 -39.67 85.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 O-C-N 123.406 0.441 . . . . 0.0 111.535 -174.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -60.19 -47.31 86.47 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.63 0.772 . . . . 0.0 110.227 177.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.92 -33.01 73.03 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.905 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.31 -41.53 96.79 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.929 1.292 . . . . 0.0 111.055 -177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.596 HD11 HG23 ' A' ' 25' ' ' VAL . 83.2 mt -65.03 -36.39 77.7 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.683 0 CA-C-N 114.682 -1.145 . . . . 0.0 110.312 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -74.49 -25.57 59.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.21 178.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -66.01 -48.2 71.95 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.294 0.371 . . . . 0.0 110.118 173.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG12 HD13 ' A' ' 109' ' ' LEU . 7.2 m -67.95 -42.29 85.44 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.306 -174.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -72.17 -28.66 63.37 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.364 0.665 . . . . 0.0 111.083 -179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.92 98.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 122.639 0.375 . . . . 0.0 110.219 171.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.86 -36.48 67.42 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.851 176.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 133.15 -19.56 4.33 Favored Glycine 0 C--N 1.349 1.274 0 C-N-CA 123.22 0.438 . . . . 0.0 113.068 -178.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.07 -179.97 44.28 Favored Glycine 0 CA--C 1.534 1.249 0 N-CA-C 114.25 0.46 . . . . 0.0 114.25 -176.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.562 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 75.5 t80 -110.91 156.77 20.7 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.29 1.436 . . . . 0.0 109.676 -176.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.499 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.69 161.3 37.09 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.176 0.991 . . . . 0.0 110.479 171.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.63 126.41 1.06 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.997 0.811 . . . . 0.0 110.642 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.596 HG23 HD11 ' A' ' 13' ' ' ILE . 93.4 t -73.53 107.53 4.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -85.12 -56.14 3.7 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.823 0.849 . . . . 0.0 110.448 175.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 64.3 tttp -101.8 140.54 35.96 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.73 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -130.75 125.67 34.43 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.328 1.051 . . . . 0.0 109.134 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.33 -133.09 4.19 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 176.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.81 121.75 18.62 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.336 0.655 . . . . 0.0 110.663 -177.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -66.26 -44.06 84.72 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.68 0.792 . . . . 0.0 111.351 -175.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.588 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -78.4 -57.21 3.9 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.639 0.776 . . . . 0.0 112.073 -176.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.59 26.49 9.34 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.682 0.793 . . . . 0.0 113.098 -167.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.64 154.35 34.2 Favored Glycine 0 N--CA 1.473 1.125 0 N-CA-C 113.65 0.22 . . . . 0.0 113.65 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.16 153.65 31.88 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 173.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.635 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.6 mm -128.24 111.1 23.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.403 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 65.7 m-85 -110.54 113.7 26.53 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.785 0.834 . . . . 0.0 109.283 175.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 t -109.57 129.08 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.573 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -113.6 119.28 36.93 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-O 121.347 0.594 . . . . 0.0 110.275 -177.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 4.9 tp60 -82.24 146.95 29.21 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.689 1.596 . . . . 0.0 111.018 -178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.0 ttm-85 -130.82 123.22 28.62 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.626 0.771 . . . . 0.0 109.338 172.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.9 mm? -93.42 167.95 11.38 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.046 0.938 . . . . 0.0 111.359 -176.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.9 -27.84 68.5 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.069 170.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.42 -23.64 64.55 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.104 1.362 . . . . 0.0 111.919 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.9 20.42 55.73 Favored Glycine 0 C--N 1.345 1.032 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 -171.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -105.15 177.81 4.74 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.047 0.939 . . . . 0.0 108.814 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -141.55 163.89 31.71 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 111.561 -178.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.597 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 10.3 m-80 -134.36 164.57 27.12 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 168.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.0 tp -133.8 143.4 48.36 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -129.27 159.57 35.71 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.183 0.993 . . . . 0.0 108.929 -176.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.59 172.6 31.71 Favored Glycine 0 N--CA 1.459 0.194 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.497 ' HG3' ' H ' ' A' ' 36' ' ' ILE . 6.5 Cg_exo -73.17 118.05 5.37 Favored 'Trans proline' 0 C--N 1.361 1.202 0 C-N-CA 122.303 2.002 . . . . 0.0 110.337 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.15 143.94 98.0 Favored Pre-proline 0 C--O 1.247 0.925 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -62.71 104.04 0.36 Allowed 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.55 2.167 . . . . 0.0 110.523 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -54.27 122.0 9.41 Favored 'General case' 0 C--N 1.354 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 111.005 -173.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.2 t -76.28 88.41 3.11 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -119.76 160.11 23.23 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.21 0.604 . . . . 0.0 110.565 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.79 137.77 33.6 Favored 'General case' 0 C--O 1.243 0.75 0 C-N-CA 124.368 1.067 . . . . 0.0 108.979 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 63.81 15.9 9.4 Favored 'General case' 0 CA--C 1.562 1.418 0 C-N-CA 124.861 1.265 . . . . 0.0 111.177 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 58.65 18.97 6.3 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.177 1.391 . . . . 0.0 112.993 -177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -82.24 -46.27 13.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.53 0.732 . . . . 0.0 110.841 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -67.79 -6.32 20.66 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.325 -175.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.36 -50.64 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.866 0.867 . . . . 0.0 109.551 166.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 32.3 mtm -90.4 -28.38 18.69 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.787 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -92.87 -5.8 50.14 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.183 0.593 . . . . 0.0 112.242 -173.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -155.93 141.17 17.51 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.762 0.825 . . . . 0.0 109.56 174.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.57 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -82.79 159.93 22.37 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 172.024 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -81.76 134.87 35.48 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.09 0.472 . . . . 0.0 110.838 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.79 161.4 23.27 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 107.724 -1.214 . . . . 0.0 107.724 172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -100.07 175.07 5.88 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 122.966 0.506 . . . . 0.0 110.542 -176.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -136.52 168.62 19.12 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.192 1.397 . . . . 0.0 109.059 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.4 m -101.5 111.95 24.34 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 176.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.05 -46.46 51.64 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.357 0.663 . . . . 0.0 110.73 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.7 mt -139.6 158.25 44.44 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 124.052 0.941 . . . . 0.0 109.153 -175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.14 136.03 14.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 -176.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.21 26.09 68.95 Favored Glycine 0 C--N 1.357 1.725 0 O-C-N 123.881 0.738 . . . . 0.0 113.371 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 23.5 m -102.94 -167.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.802 1.241 . . . . 0.0 110.228 -172.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.416 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.4 pt-20 -121.08 172.41 7.97 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.131 0.572 . . . . 0.0 110.805 177.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.95 65.94 Favored Glycine 0 C--N 1.353 1.476 0 O-C-N 124.122 0.889 . . . . 0.0 114.403 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.53 -44.59 82.06 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.074 0.55 . . . . 0.0 110.057 175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.83 -38.1 85.78 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.599 0.76 . . . . 0.0 110.742 178.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.441 HG21 ' HE ' ' A' ' 39' ' ' ARG . 49.1 mm -61.18 -56.47 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.357 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.54 65.82 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.783 0.833 . . . . 0.0 111.342 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 88' ' ' ARG . . . -65.22 -39.18 92.41 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.092 0.557 . . . . 0.0 111.203 175.588 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.89 -41.03 21.52 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 117.83 0.286 . . . . 0.0 111.038 174.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -55.62 -31.86 62.64 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.157 0.583 . . . . 0.0 111.082 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.4 pp20? -75.17 -32.03 61.15 Favored 'General case' 0 C--N 1.355 0.818 0 O-C-N 123.508 0.505 . . . . 0.0 110.17 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 84' ' ' ALA . 33.6 mtp-105 -70.28 -50.39 39.99 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 121.496 0.665 . . . . 0.0 109.398 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -66.47 -42.79 86.99 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 114.815 -1.084 . . . . 0.0 110.497 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -66.43 -28.79 68.88 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 123.604 0.565 . . . . 0.0 111.393 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -62.4 -46.46 88.48 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.585 0.754 . . . . 0.0 110.08 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -89.96 -14.31 34.34 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.999 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -161.71 91.26 0.81 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.437 0.695 . . . . 0.0 109.837 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.5 t -77.09 -3.14 37.75 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 122.984 0.514 . . . . 0.0 110.723 175.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.44 3.26 16.32 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.762 0.825 . . . . 0.0 112.237 176.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 pp -80.65 160.29 25.08 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-O 121.013 0.435 . . . . 0.0 110.906 177.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 21.7 m95 -118.25 127.34 53.63 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.98 1.312 . . . . 0.0 108.779 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 99.2 t -99.63 116.49 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 25' ' ' VAL . 29.7 t -110.32 112.8 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 171.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 10.1 pt-20 -88.06 108.34 19.19 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.524 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -103.5 150.75 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.376 178.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.562 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 39.0 tt0 -138.83 105.91 5.46 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -176.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.461 HG23 HE22 ' A' ' 40' ' ' GLN . 4.8 t -159.84 159.97 33.18 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 122.937 0.495 . . . . 0.0 109.779 -175.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -74.12 -45.33 49.63 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.338 0.655 . . . . 0.0 110.22 -179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -119.64 142.67 48.23 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.187 0.595 . . . . 0.0 110.129 -176.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.6 tp -94.92 -35.98 6.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 C-N-CA 123.446 0.698 . . . . 0.0 110.544 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.79 77.66 1.75 Allowed Glycine 0 C--N 1.352 1.436 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.83 -174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 8.8 t 176.43 -30.41 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.361 1.464 . . . . 0.0 108.974 -178.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.559 HD13 HG12 ' A' ' 16' ' ' VAL . 1.9 pp -125.44 -3.9 7.3 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.661 0.784 . . . . 0.0 112.531 -173.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 46.5 tp -157.54 138.52 13.35 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 173.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 26.8 m -107.29 125.08 50.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.537 0.735 . . . . 0.0 110.652 -175.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt -124.95 155.33 39.77 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.305 1.042 . . . . 0.0 110.512 -174.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 24.3 m -87.16 -28.05 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.853 0.861 . . . . 0.0 110.085 177.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -74.27 -46.44 41.3 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.863 0.865 . . . . 0.0 110.21 176.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -94.57 164.59 19.41 Favored Pre-proline 0 CA--C 1.55 0.97 0 C-N-CA 123.681 0.792 . . . . 0.0 110.133 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -55.29 174.86 0.21 Allowed 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.32 2.68 . . . . 0.0 114.188 169.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -72.58 -57.1 4.4 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.561 176.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.321 -175.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 CA--C 1.55 0.953 0 CA-C-O 120.914 0.387 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.419 ' HA ' ' HB3' ' A' ' 67' ' ' GLU . 61.8 ttt-85 -80.31 102.36 9.49 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.244 0.545 . . . . 0.0 110.039 173.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.553 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -139.0 174.42 10.53 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.575 1.15 . . . . 0.0 109.636 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 8.7 ptpp? -72.96 169.32 17.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.383 0.273 . . . . 0.0 110.597 -176.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.677 ' HB3' HD11 ' A' ' 36' ' ' ILE . 19.3 m -59.39 -45.06 92.53 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.146 0.979 . . . . 0.0 111.852 -177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.402 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.8 tm-20 -63.5 -39.53 94.69 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.508 1.123 . . . . 0.0 111.174 178.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.553 ' HG3' HD22 ' A' ' 3' ' ' LEU . 6.5 tpt -77.23 -23.77 51.29 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.391 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -76.3 -43.41 41.55 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.15 -41.67 89.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 O-C-N 123.507 0.504 . . . . 0.0 110.34 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.41 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 29.7 t -62.36 -48.72 78.55 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 123.822 0.701 . . . . 0.0 109.664 178.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -60.22 -38.16 82.51 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.198 0.599 . . . . 0.0 111.226 177.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' ARG . 3.7 tt -64.08 -38.68 91.94 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.108 0.963 . . . . 0.0 110.143 -176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.5 mt -63.74 -42.48 96.12 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.533 177.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HD3' ' O ' ' A' ' 10' ' ' SER . 9.3 mpt_? -72.59 -24.37 61.08 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 122.111 -0.368 . . . . 0.0 110.606 179.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.4 mtt180 -65.07 -49.54 69.67 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.067 0.547 . . . . 0.0 110.549 172.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG12 HD13 ' A' ' 109' ' ' LEU . 5.5 m -68.74 -40.53 81.64 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 CA-C-N 116.571 -0.286 . . . . 0.0 111.244 -174.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -69.56 -28.78 66.28 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.047 0.539 . . . . 0.0 110.679 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.65 66.85 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 122.774 0.43 . . . . 0.0 111.199 171.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.23 -10.48 32.84 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 123.462 0.705 . . . . 0.0 111.765 175.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.7 4.8 56.9 Favored Glycine 0 C--N 1.353 1.49 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.95 -174.37 45.36 Favored Glycine 0 CA--C 1.533 1.216 0 CA-C-N 117.157 0.478 . . . . 0.0 113.4 175.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -112.93 159.22 19.3 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 124.426 1.09 . . . . 0.0 109.865 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.558 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -159.94 154.3 23.73 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.581 0.752 . . . . 0.0 111.421 174.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.46 124.05 1.14 Allowed 'General case' 0 C--N 1.355 0.827 0 O-C-N 124.226 0.954 . . . . 0.0 110.046 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 13' ' ' ILE . 57.9 t -69.54 103.93 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 123.228 0.611 . . . . 0.0 110.259 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -64.63 -66.87 0.49 Allowed 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.062 0.945 . . . . 0.0 110.493 174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -108.65 144.82 35.89 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.634 -175.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.413 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 87.2 tttt -117.51 129.89 56.08 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.708 1.203 . . . . 0.0 109.215 178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -120.06 -140.35 6.08 Favored Glycine 0 N--CA 1.466 0.666 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.61 126.48 31.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.608 0.763 . . . . 0.0 110.845 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -60.49 -46.22 90.91 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.291 0.848 . . . . 0.0 113.291 -172.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.614 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.14 -61.77 1.67 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 122.808 0.443 . . . . 0.0 111.962 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.59 0.83 56.75 Favored 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 -166.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.33 152.95 51.16 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 114.545 0.578 . . . . 0.0 114.545 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.76 165.16 22.18 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 169.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.677 HD11 ' HB3' ' A' ' 5' ' ' SER . 27.3 mm -133.46 113.23 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 30.9 m-85 -111.94 112.92 24.92 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.433 0.693 . . . . 0.0 109.161 172.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -107.94 141.71 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.518 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 14.7 ptp180 -106.67 134.22 50.15 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 173.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.578 ' HB3' ' HB2' ' A' ' 48' ' ' ASN . 56.4 tt0 -84.07 145.65 28.35 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 164.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -124.17 132.85 53.66 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.139 0.495 . . . . 0.0 109.801 172.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.18 143.99 27.45 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 107.639 -1.245 . . . . 0.0 107.639 167.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.79 HH22 ' HB3' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -63.3 -15.24 56.67 Favored 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 123.416 0.686 . . . . 0.0 111.508 173.824 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -69.08 -13.94 62.73 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.141 1.377 . . . . 0.0 112.031 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -5.88 66.26 Favored Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -82.09 161.31 22.93 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 108.758 -0.831 . . . . 0.0 108.758 177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -150.5 153.37 35.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 0.0 110.218 -173.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.578 ' HB2' ' HB3' ' A' ' 40' ' ' GLN . 0.8 OUTLIER -118.72 170.81 8.67 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 169.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -139.72 142.98 36.82 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.407 ' H ' HD23 ' A' ' 49' ' ' LEU . 40.1 m-85 -132.2 156.45 46.43 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.499 1.12 . . . . 0.0 109.318 -176.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.5 166.8 30.78 Favored Glycine 0 C--N 1.333 0.38 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 177.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.28 128.52 13.86 Favored 'Trans proline' 0 C--N 1.364 1.393 0 C-N-CA 122.234 1.956 . . . . 0.0 111.601 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.78 164.06 15.8 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.215 1.006 . . . . 0.0 110.599 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -64.45 126.85 17.71 Favored 'Trans proline' 0 C--N 1.376 1.999 0 C-N-CA 122.331 2.021 . . . . 0.0 110.944 165.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -77.02 166.23 23.59 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.305 0.642 . . . . 0.0 110.699 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.3 p -84.41 74.36 10.37 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.387 0.675 . . . . 0.0 110.027 175.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.464 ' HA ' ' HB2' ' A' ' 62' ' ' ASP . 54.4 p90 -88.67 136.95 32.74 Favored 'General case' 0 C--N 1.356 0.875 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.429 177.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.58 108.61 20.21 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.842 0.857 . . . . 0.0 108.9 177.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.2 t70 58.71 37.1 25.19 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.966 1.306 . . . . 0.0 111.706 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 62.86 22.02 13.17 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.969 1.308 . . . . 0.0 113.638 178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.2 mm-40 -70.52 -58.73 3.39 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 172.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 65' ' ' ARG . 4.8 m-20 -65.53 -8.14 18.14 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -170.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.7 mm -53.2 -38.94 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 CA-C-O 121.915 0.864 . . . . 0.0 110.066 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -121.75 -3.32 9.24 Favored 'General case' 0 CA--C 1.547 0.847 0 CA-C-N 113.766 -1.561 . . . . 0.0 111.272 -173.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.53 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 12.8 mmm180 -107.19 -16.87 14.3 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.451 0.7 . . . . 0.0 111.558 179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . . . -147.16 165.71 29.18 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 123.339 0.656 . . . . 0.0 110.713 -177.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HB3' ' HA ' ' A' ' 2' ' ' ARG . 0.8 OUTLIER -86.67 161.82 18.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.697 0.799 . . . . 0.0 111.191 -178.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.0 ptt180 -68.17 127.48 33.06 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.739 170.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -86.1 154.54 21.3 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.4 ' CZ ' ' HB ' ' A' ' 36' ' ' ILE . 3.6 m-85 -101.09 175.14 5.69 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 122.996 0.519 . . . . 0.0 111.418 -173.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -140.48 157.45 45.49 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.23 1.412 . . . . 0.0 109.284 177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.7 m -92.38 111.38 22.93 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 123.053 0.541 . . . . 0.0 109.547 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -74.26 -58.63 3.17 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.84 0.856 . . . . 0.0 111.13 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 HD12 ' A' ' 49' ' ' LEU . 83.6 mt -119.62 161.06 21.3 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.503 0.721 . . . . 0.0 109.298 178.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -153.75 126.36 8.15 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.414 0.286 . . . . 0.0 111.549 -176.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.66 35.41 91.99 Favored Glycine 0 C--N 1.353 1.498 0 O-C-N 123.871 0.732 . . . . 0.0 113.622 176.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -106.34 -165.72 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.325 1.45 . . . . 0.0 109.602 -177.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -117.64 173.7 6.58 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-N 118.173 0.442 . . . . 0.0 110.935 173.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.95 -19.03 65.21 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 115.962 -0.563 . . . . 0.0 114.085 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -64.25 -47.28 80.19 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.545 0.738 . . . . 0.0 109.67 172.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -66.75 -40.82 88.45 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.851 0.86 . . . . 0.0 110.76 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.516 ' HA ' HD12 ' A' ' 49' ' ' LEU . 38.6 mm -61.23 -56.68 16.3 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.06 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.34 -27.95 68.95 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 122.946 0.498 . . . . 0.0 111.638 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.11 71.31 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.178 0.591 . . . . 0.0 111.167 176.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.435 HD22 HD13 ' A' ' 49' ' ' LEU . 1.7 tp -82.0 -47.93 12.07 Favored 'General case' 0 C--N 1.352 0.713 0 C-N-CA 122.173 0.189 . . . . 0.0 111.467 172.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -60.25 -27.21 67.05 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -66.72 -35.44 80.13 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 60.7 mtp85 -74.75 -49.97 19.06 Favored 'General case' 0 C--N 1.349 0.557 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.706 -177.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -61.81 -37.52 84.71 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.366 0.666 . . . . 0.0 111.648 -177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -70.98 -29.3 65.24 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.279 0.362 . . . . 0.0 111.302 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 88' ' ' ARG . 30.2 ttm180 -63.72 -47.93 79.13 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.286 0.634 . . . . 0.0 110.271 176.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -67.67 -54.78 16.77 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 178.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -148.18 105.66 3.66 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.905 0.882 . . . . 0.0 109.65 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.5 t -76.91 -1.81 30.39 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 113.286 0.847 . . . . 0.0 113.286 -176.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -72.42 3.76 4.47 Favored 'General case' 0 N--CA 1.493 1.677 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -76.56 155.46 33.62 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.537 0.684 . . . . 0.0 111.627 177.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.413 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 21.6 m95 -111.97 131.61 55.29 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 114.313 -1.312 . . . . 0.0 107.997 175.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 21.9 t -112.17 126.53 69.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.1 t -124.39 122.22 63.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 C-N-CA 123.157 0.583 . . . . 0.0 109.68 -178.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.518 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 13.9 pt-20 -86.81 106.6 17.82 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 172.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 25.7 pt -107.47 147.76 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -120.27 125.68 48.71 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 173.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.563 HG21 HD11 ' A' ' 109' ' ' LEU . 8.8 t -172.76 166.25 5.32 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.668 1.187 . . . . 0.0 108.609 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.79 ' HB3' HH22 ' A' ' 43' ' ' ARG . 11.6 p-10 -102.07 -36.48 8.56 Favored 'General case' 0 N--CA 1.485 1.317 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 165.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -95.3 98.35 10.53 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.994 0.917 . . . . 0.0 109.964 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.6 tp -81.15 -31.49 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.01 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.028 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -65.81 -18.76 66.7 Favored Glycine 0 C--N 1.351 1.416 0 N-CA-C 114.535 0.574 . . . . 0.0 114.535 -170.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.0 t -86.52 -24.76 25.41 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.07 0.548 . . . . 0.0 111.678 -179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.563 HD11 HG21 ' A' ' 103' ' ' THR . 1.9 pp -126.5 4.99 6.86 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -167.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 54.3 tp -167.4 132.96 2.04 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.226 1.011 . . . . 0.0 109.149 172.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 15.4 m -95.21 129.85 42.17 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.643 0.777 . . . . 0.0 110.925 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -132.43 139.77 48.16 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 123.736 0.814 . . . . 0.0 111.486 -172.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.1 m -79.61 -28.94 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 C-N-CA 124.084 0.953 . . . . 0.0 110.289 176.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -68.2 -53.92 21.47 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.048 0.939 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -69.14 145.69 96.44 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.025 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -59.01 150.27 74.06 Favored 'Trans proline' 0 C--N 1.384 2.397 0 C-N-CA 123.257 2.638 . . . . 0.0 113.763 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.71 -42.64 93.51 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 114.84 -1.073 . . . . 0.0 110.408 176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 C-N-CA 124.441 1.097 . . . . 0.0 108.309 175.047 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.1 mmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -68.53 95.76 0.65 Allowed 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.243 1.017 . . . . 0.0 110.677 172.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.566 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -146.53 -178.37 6.13 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.804 1.241 . . . . 0.0 109.551 178.626 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -68.04 155.61 39.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 122.592 0.357 . . . . 0.0 110.331 173.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.597 ' HB3' HD11 ' A' ' 36' ' ' ILE . 3.8 m -60.14 -36.24 77.07 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.337 1.055 . . . . 0.0 110.545 175.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -61.29 -51.8 67.37 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.452 1.101 . . . . 0.0 110.98 174.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.566 ' HG3' HD22 ' A' ' 3' ' ' LEU . 10.0 tpt -68.61 -23.74 64.49 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.264 -177.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -69.86 -46.3 65.85 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.26 -43.67 93.96 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.234 0 O-C-N 123.63 0.581 . . . . 0.0 110.277 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 50.3 m -54.62 -54.15 45.27 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 124.396 1.06 . . . . 0.0 109.957 176.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.67 -37.78 88.65 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.555 0.742 . . . . 0.0 112.019 -179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 110' ' ' LEU . 26.0 tp -58.6 -43.56 89.59 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.562 1.545 . . . . 0.0 111.139 -178.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 23' ' ' ALA . 79.7 mt -64.67 -38.36 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.725 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.465 179.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.6 mpt_? -73.75 -26.16 60.53 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 122.112 -0.368 . . . . 0.0 110.665 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 67.5 mtp180 -66.11 -44.44 84.28 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 123.051 0.54 . . . . 0.0 110.706 175.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 23' ' ' ALA . 5.3 m -70.46 -42.41 78.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.625 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.08 -29.23 68.94 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.306 0.642 . . . . 0.0 110.858 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.1 -29.01 65.87 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.083 0.553 . . . . 0.0 111.224 172.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.66 4.57 52.39 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.69 0.796 . . . . 0.0 112.086 176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.15 39.34 32.31 Favored Glycine 0 C--N 1.354 1.53 0 CA-C-O 120.955 0.197 . . . . 0.0 113.117 178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.2 175.25 18.96 Favored Glycine 0 N--CA 1.466 0.684 0 C-N-CA 123.989 0.804 . . . . 0.0 111.539 -179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.595 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 91.0 t80 -111.15 155.09 23.4 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 123.144 0.578 . . . . 0.0 110.161 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.559 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -156.9 157.75 35.42 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.694 0.798 . . . . 0.0 110.918 173.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.23 135.81 2.64 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.333 1.021 . . . . 0.0 109.125 178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.7 t -81.36 106.88 13.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.419 ' OE1' ' HD3' ' A' ' 39' ' ' ARG . 43.2 mt-10 -74.6 -54.11 8.09 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 122.796 0.438 . . . . 0.0 110.36 176.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -119.38 146.95 44.89 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.49 0.716 . . . . 0.0 110.214 -177.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -115.56 149.1 38.74 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.25 1.02 . . . . 0.0 109.697 174.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -132.45 -138.07 4.06 Favored Glycine 0 CA--C 1.529 0.942 0 CA-C-N 115.179 -0.918 . . . . 0.0 111.152 168.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.88 144.79 34.6 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.156 0.582 . . . . 0.0 111.221 -177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -68.47 -60.4 2.46 Favored 'General case' 0 C--O 1.211 -0.969 0 C-N-CA 123.623 0.769 . . . . 0.0 112.199 -174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.12 -41.12 10.12 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 122.972 0.509 . . . . 0.0 111.504 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.2 13.54 34.8 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.692 0.797 . . . . 0.0 112.037 -172.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -86.16 148.48 22.31 Favored Glycine 0 C--N 1.346 1.137 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 -175.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.468 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -79.19 164.94 23.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 170.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 5' ' ' SER . 16.7 mm -141.6 115.03 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 61.6 m-85 -114.77 112.67 23.18 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.56 0.744 . . . . 0.0 109.749 175.109 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.5 t -108.4 129.17 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 124.215 1.006 . . . . 0.0 109.068 -173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' HD3' ' OE1' ' A' ' 26' ' ' GLU . 8.3 ptm180 -112.82 121.74 45.61 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.876 0.87 . . . . 0.0 109.564 -178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 46.4 tt0 -102.8 121.42 42.44 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.6 0.76 . . . . 0.0 111.046 -176.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.461 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 52.0 ttt180 -81.67 114.02 20.06 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 172.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.504 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.8 mm? -72.23 166.42 22.45 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.384 1.074 . . . . 0.0 111.182 173.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -54.84 -30.16 56.88 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 113.279 -1.782 . . . . 0.0 113.919 -176.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -92.07 -38.11 12.39 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.432 0.293 . . . . 0.0 111.074 -171.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 149.27 -28.34 1.23 Allowed Glycine 0 C--N 1.342 0.908 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.208 -174.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' NH1' ' HB3' ' A' ' 78' ' ' GLU . 29.5 mmt180 -68.28 168.47 12.34 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 122.552 0.341 . . . . 0.0 111.383 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.4 mt-10 -138.75 152.38 47.9 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.74 0.781 . . . . 0.0 111.237 -174.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.504 ' ND2' HD21 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -106.16 166.82 10.24 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.426 1.09 . . . . 0.0 108.771 168.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 82' ' ' ILE . 0.7 OUTLIER -136.36 140.79 43.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 174.236 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 47.3 m-85 -129.17 146.98 50.98 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 124.571 1.148 . . . . 0.0 108.125 -177.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.55 168.49 27.31 Favored Glycine 0 N--CA 1.468 0.788 0 CA-C-O 118.999 -0.889 . . . . 0.0 111.774 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.23 124.37 12.86 Favored 'Trans proline' 0 C--N 1.371 1.738 0 C-N-CA 122.605 2.204 . . . . 0.0 111.166 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.3 152.43 55.32 Favored Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 123.309 0.643 . . . . 0.0 110.615 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -66.61 97.54 0.38 Allowed 'Trans proline' 0 C--N 1.376 2.018 0 C-N-CA 122.266 1.977 . . . . 0.0 110.692 170.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 tp60 -64.68 109.72 2.12 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.299 175.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.9 t -62.88 95.71 0.08 Allowed 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.414 177.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -84.78 132.9 34.37 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.767 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.29 102.57 14.35 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 t70 69.53 32.77 3.29 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.651 1.181 . . . . 0.0 110.546 178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 64.19 15.15 9.16 Favored 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 124.453 1.101 . . . . 0.0 112.317 178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -77.08 -42.89 36.44 Favored 'General case' 0 CA--C 1.533 0.297 0 O-C-N 122.331 -0.231 . . . . 0.0 110.955 -175.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.06 -12.11 17.36 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 123.725 0.81 . . . . 0.0 112.997 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 44.4 mm -61.74 -41.02 88.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.495 0.718 . . . . 0.0 110.059 173.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 20.9 ptp -119.47 -7.76 10.12 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.404 1.081 . . . . 0.0 111.467 -174.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -119.9 11.05 11.71 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.593 0.757 . . . . 0.0 111.135 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.75 151.14 31.94 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.897 0.879 . . . . 0.0 109.021 171.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.11 177.12 9.23 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.934 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -81.03 106.86 13.36 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.127 170.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.3 ttp180 -91.6 148.13 22.5 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 172.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.0 m-85 -99.85 176.19 5.53 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.395 0.678 . . . . 0.0 110.902 -168.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -139.36 168.85 18.9 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.799 1.64 . . . . 0.0 107.839 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.2 m -96.56 107.3 19.7 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.401 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 41.8 mmt-85 -68.14 -59.81 2.95 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.332 0.653 . . . . 0.0 109.676 175.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 87.4 mt -123.06 159.17 29.03 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.723 0.809 . . . . 0.0 110.438 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.22 118.87 7.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 122.911 0.484 . . . . 0.0 110.714 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.443 ' H ' ' ND2' ' A' ' 48' ' ' ASN . . . 71.18 29.63 68.42 Favored Glycine 0 C--N 1.349 1.287 0 O-C-N 123.63 0.581 . . . . 0.0 114.056 172.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.2 m -114.55 150.13 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 124.448 1.099 . . . . 0.0 109.813 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' HB3' ' NH1' ' A' ' 46' ' ' ARG . 11.9 pt-20 -72.7 169.95 15.56 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 120.882 0.373 . . . . 0.0 111.823 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -59.63 -18.2 44.17 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-N 114.933 -1.03 . . . . 0.0 115.135 -177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -64.9 -51.03 64.16 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -66.12 -36.9 84.38 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.844 0.858 . . . . 0.0 111.355 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.47 ' HA ' HD12 ' A' ' 49' ' ' LEU . 49.9 mm -58.96 -55.91 20.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.944 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.09 -26.44 68.22 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.647 0.779 . . . . 0.0 111.763 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.15 -33.84 75.22 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.381 0.672 . . . . 0.0 111.167 178.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.456 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -82.34 -41.11 20.47 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 117.723 0.238 . . . . 0.0 111.166 173.124 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -55.91 -32.1 63.46 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.191 0.596 . . . . 0.0 110.881 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.16 -34.15 72.65 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.862 0.726 . . . . 0.0 110.425 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -73.59 -48.0 36.08 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-O 121.375 0.607 . . . . 0.0 110.094 -176.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -72.11 -34.35 68.54 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.23 -174.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HA ' HD22 ' A' ' 96' ' ' LEU . 23.1 ptt180 -71.24 -30.07 65.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 123.479 0.487 . . . . 0.0 111.574 175.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -59.73 -49.37 78.01 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.768 0.827 . . . . 0.0 109.739 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -71.96 -54.26 10.52 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.403 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -135.2 102.46 5.19 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.108 0.563 . . . . 0.0 109.967 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 t -71.26 -1.87 14.17 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 123.889 0.876 . . . . 0.0 110.648 171.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -70.46 0.85 5.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.974 0.91 . . . . 0.0 112.258 172.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.0 pt? -76.89 146.77 37.44 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-O 121.34 0.59 . . . . 0.0 110.977 176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.45 125.74 51.33 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 171.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 88.5 t -99.18 115.17 39.18 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 175.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -115.84 117.08 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -85.68 107.94 17.8 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 44.1 pt -103.58 160.27 4.64 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 170.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.595 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.2 tm-20 -143.81 107.82 4.72 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 -172.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.6 t -170.23 163.98 8.99 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.672 0.789 . . . . 0.0 110.461 -171.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.07 -48.07 10.98 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.991 0.917 . . . . 0.0 110.251 177.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -108.81 150.97 26.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.363 0.665 . . . . 0.0 110.333 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.481 HG12 HD11 ' A' ' 112' ' ' LEU . 10.3 tp -111.3 -35.7 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.117 0.567 . . . . 0.0 111.009 -178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -78.78 66.17 3.38 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 123.493 0.496 . . . . 0.0 113.106 -172.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.9 t -175.04 -35.6 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.084 1.353 . . . . 0.0 108.767 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 16' ' ' VAL . 2.1 pp -115.41 -4.42 12.33 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.653 0.781 . . . . 0.0 111.869 -174.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.468 HD13 HD13 ' A' ' 12' ' ' LEU . 60.0 tp -156.63 150.36 24.72 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.503 1.121 . . . . 0.0 108.171 171.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 31.5 m -108.99 131.34 55.15 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.178 0.591 . . . . 0.0 110.708 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.481 HD11 HG12 ' A' ' 106' ' ' ILE . 16.6 mt -126.87 161.98 26.99 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.521 1.128 . . . . 0.0 109.827 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 30.6 m -105.3 0.28 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.792 0.837 . . . . 0.0 110.405 172.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -103.98 -55.22 2.41 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.599 0.76 . . . . 0.0 110.403 -169.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -67.32 145.53 98.57 Favored Pre-proline 0 N--CA 1.482 1.146 0 CA-C-O 118.881 -0.581 . . . . 0.0 110.11 176.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -55.7 102.58 0.1 OUTLIER 'Trans proline' 0 C--N 1.382 2.306 0 C-N-CA 123.385 2.724 . . . . 0.0 113.04 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -75.46 126.01 30.16 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.234 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.168 0 O-C-N 124.686 1.241 . . . . 0.0 111.542 175.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 N--CA 1.481 1.122 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HG2' ' N ' ' A' ' 67' ' ' GLU . 90.5 mtt180 -83.86 94.75 8.29 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.955 0.902 . . . . 0.0 109.484 177.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 HD11 ' HD1' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -141.1 -169.14 2.77 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.654 0.782 . . . . 0.0 111.294 -170.657 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 15.9 ptpt -95.7 175.53 6.49 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.367 175.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.617 ' HB3' HD11 ' A' ' 36' ' ' ILE . 9.4 m -60.77 -48.09 83.35 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.599 1.16 . . . . 0.0 112.637 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -65.39 -37.77 87.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.641 0.777 . . . . 0.0 111.034 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 8.6 tpt -73.52 -23.95 60.08 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.139 -178.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.405 ' HD1' HD11 ' A' ' 3' ' ' LEU . 61.2 t80 -75.58 -51.97 11.65 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -60.45 -39.15 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 O-C-N 123.879 0.737 . . . . 0.0 111.572 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.462 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 51.3 p -66.31 -50.19 64.47 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.32 0.648 . . . . 0.0 110.63 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -63.09 -30.67 71.78 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 123.014 0.525 . . . . 0.0 111.677 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 43.2 tp -64.28 -41.34 96.94 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 125.179 1.392 . . . . 0.0 111.023 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.545 HG23 ' HB3' ' A' ' 23' ' ' ALA . 94.1 mt -67.18 -35.21 73.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.081 176.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 10' ' ' SER . 11.0 mpt_? -72.5 -26.41 61.77 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.551 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 61.7 mtp180 -67.57 -45.07 76.64 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.834 0.453 . . . . 0.0 110.415 175.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.593 HG12 HD13 ' A' ' 109' ' ' LEU . 6.8 m -71.32 -43.79 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.943 -175.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -66.67 -28.18 68.26 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 123.342 0.657 . . . . 0.0 110.826 178.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.91 -30.97 71.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.055 0.542 . . . . 0.0 111.11 172.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.97 -3.48 57.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.649 0.78 . . . . 0.0 112.085 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.75 46.78 7.05 Favored Glycine 0 C--N 1.347 1.155 0 N-CA-C 112.196 -0.362 . . . . 0.0 112.196 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -130.15 179.16 17.06 Favored Glycine 0 N--CA 1.47 0.927 0 C-N-CA 123.662 0.648 . . . . 0.0 112.056 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 77.6 t80 -115.39 154.74 28.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 123.706 0.802 . . . . 0.0 109.517 -175.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB3' HG23 ' A' ' 13' ' ' ILE . . . -163.13 165.73 24.26 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.051 0.54 . . . . 0.0 111.985 173.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -177.02 138.34 0.25 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.851 1.26 . . . . 0.0 109.015 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 99' ' ' VAL . 95.2 t -80.72 115.13 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 122.809 0.443 . . . . 0.0 110.269 177.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.33 -59.17 2.89 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.949 0.899 . . . . 0.0 110.412 175.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -107.95 142.37 38.16 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.56 0.744 . . . . 0.0 110.288 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -119.24 142.15 48.29 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.121 0.968 . . . . 0.0 109.768 177.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -131.15 -138.8 4.31 Favored Glycine 0 C--O 1.239 0.45 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.382 172.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.71 124.12 25.39 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.622 0.769 . . . . 0.0 110.433 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -67.01 -37.08 83.53 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.379 0.672 . . . . 0.0 112.173 -171.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.681 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -86.05 -60.35 2.04 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.136 0.574 . . . . 0.0 112.301 179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.7 18.23 19.86 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 -166.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -75.06 151.74 42.76 Favored Glycine 0 CA--C 1.529 0.938 0 N-CA-C 113.784 0.273 . . . . 0.0 113.784 -178.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.51 152.96 35.89 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.617 HD11 ' HB3' ' A' ' 5' ' ' SER . 33.9 mm -127.03 122.94 61.37 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 121.807 -0.558 . . . . 0.0 109.754 -178.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 52.4 m-85 -122.11 135.54 54.81 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.898 1.279 . . . . 0.0 108.577 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -130.59 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 C-N-CA 123.05 0.54 . . . . 0.0 109.748 -174.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.502 ' HG3' ' HA ' ' A' ' 100' ' ' GLU . 9.1 ptp180 -109.86 110.77 21.84 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 123.488 0.715 . . . . 0.0 109.073 175.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 47' ' ' GLU . 2.8 tp60 -80.62 109.58 15.29 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.252 1.021 . . . . 0.0 109.559 172.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -97.06 111.76 23.84 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.627 0.771 . . . . 0.0 110.004 -177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -81.14 145.24 31.15 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.993 169.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.504 ' HD3' ' N ' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -48.36 -28.88 3.45 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.467 172.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -71.93 -9.04 57.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 123.785 0.834 . . . . 0.0 112.392 -177.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.38 7.02 60.89 Favored Glycine 0 C--N 1.343 0.92 0 O-C-N 123.14 0.275 . . . . 0.0 112.564 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mmt-85 -92.25 153.64 19.13 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' A' ' 40' ' ' GLN . 32.1 mt-10 -141.02 141.0 34.38 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.793 0.837 . . . . 0.0 109.62 -177.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.7 OUTLIER -113.28 131.4 55.94 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD11 HD21 ' A' ' 86' ' ' LEU . 16.8 tp -100.06 143.73 29.92 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -127.23 156.59 41.63 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.173 0.989 . . . . 0.0 109.576 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.34 165.05 26.14 Favored Glycine 0 C--N 1.334 0.447 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 177.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -81.78 105.02 1.49 Allowed 'Trans proline' 0 C--N 1.363 1.324 0 C-N-CA 122.296 1.997 . . . . 0.0 109.927 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.47 ' H ' ' HA ' ' A' ' 70' ' ' PHE . . . -60.5 148.08 81.54 Favored Pre-proline 0 C--O 1.249 1.051 0 C-N-CA 122.813 0.445 . . . . 0.0 111.406 -173.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_endo -59.73 117.72 4.5 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.326 2.017 . . . . 0.0 109.807 173.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -55.07 152.63 7.5 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.463 1.105 . . . . 0.0 112.099 -173.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 38.2 m -79.63 56.78 2.3 Favored 'General case' 0 CA--C 1.553 1.059 0 CA-C-O 121.574 0.702 . . . . 0.0 109.561 173.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.61 ' HA ' ' HB3' ' A' ' 62' ' ' ASP . 49.1 p90 -86.95 137.75 32.1 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.429 -170.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.65 119.43 38.88 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 124.023 0.929 . . . . 0.0 108.907 173.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 65.32 17.88 11.15 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 124.522 1.129 . . . . 0.0 111.652 174.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.45 22.77 13.14 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.382 1.073 . . . . 0.0 111.868 -175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -82.0 -49.66 10.01 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.611 0.72 . . . . 0.0 109.282 174.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.61 ' HB3' ' HA ' ' A' ' 57' ' ' PHE . 32.6 t70 -67.08 -7.95 26.82 Favored 'General case' 0 CA--C 1.563 1.446 0 C-N-CA 125.495 1.518 . . . . 0.0 113.979 -169.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.2 mm -43.95 -49.74 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 C-N-CA 125.497 1.519 . . . . 0.0 112.282 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.63 24.66 8.44 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 114.694 -1.139 . . . . 0.0 110.51 -173.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB2' ' HA ' ' A' ' 62' ' ' ASP . 56.0 mmm-85 -113.71 -31.75 6.36 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.098 0.959 . . . . 0.0 109.267 -179.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.83 157.91 40.19 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.036 0.934 . . . . 0.0 110.062 174.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' N ' ' HG2' ' A' ' 2' ' ' ARG . 48.3 tt0 -65.16 127.65 32.54 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.672 0.789 . . . . 0.0 110.494 177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -77.22 125.37 29.22 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -81.34 166.12 20.75 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.47 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.6 m-85 -102.36 173.94 6.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.164 0.586 . . . . 0.0 111.056 -177.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -141.48 166.64 24.2 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.206 1.403 . . . . 0.0 108.644 179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.7 m -103.27 109.85 21.6 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 122.918 0.487 . . . . 0.0 109.762 -176.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 44.3 mmt-85 -71.36 -53.17 15.03 Favored 'General case' 0 C--N 1.362 1.117 0 C-N-CA 123.467 0.707 . . . . 0.0 110.05 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.36 160.16 37.11 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.323 1.049 . . . . 0.0 109.035 -175.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -149.27 116.66 6.12 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.627 0.371 . . . . 0.0 111.36 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.99 31.74 78.87 Favored Glycine 0 C--N 1.353 1.479 0 O-C-N 123.786 0.679 . . . . 0.0 113.913 172.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.96 -170.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 123.82 0.848 . . . . 0.0 109.779 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.563 ' HG3' ' HB3' ' A' ' 80' ' ' GLU . 11.0 pt-20 -98.15 165.97 11.64 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 122.784 0.434 . . . . 0.0 110.698 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -63.67 -25.68 69.15 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 115.732 -0.667 . . . . 0.0 113.604 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.563 ' HB3' ' HG3' ' A' ' 78' ' ' GLU . 8.4 tp10 -55.9 -46.96 78.24 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.196 0.998 . . . . 0.0 110.708 171.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 21.7 mm-40 -69.99 -41.1 74.85 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.056 0.543 . . . . 0.0 110.906 -178.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.415 HG23 HD13 ' A' ' 49' ' ' LEU . 34.2 mm -56.84 -56.25 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.545 179.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.93 -30.03 71.0 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.783 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.44 94.21 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.363 0.665 . . . . 0.0 111.186 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 88' ' ' ARG . 1.1 tt -81.51 -36.39 29.26 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.202 178.205 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.416 HD21 HD11 ' A' ' 49' ' ' LEU . 97.2 mt -56.87 -28.2 61.47 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 122.947 0.499 . . . . 0.0 110.802 175.049 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -69.64 -44.6 70.29 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.377 1.471 . . . . 0.0 110.818 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.424 ' HD3' ' HA ' ' A' ' 85' ' ' LEU . 74.4 mtp180 -69.54 -39.54 77.41 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.245 0.618 . . . . 0.0 110.764 -175.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -71.9 -44.17 64.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.323 178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -65.46 -29.4 70.07 Favored 'General case' 0 N--CA 1.499 2.016 0 CA-C-O 120.974 0.416 . . . . 0.0 111.21 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -61.81 -32.1 72.39 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.688 0.795 . . . . 0.0 110.551 178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -96.55 -24.47 16.04 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.654 0.782 . . . . 0.0 111.801 175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -156.16 92.41 1.34 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.023 0.529 . . . . 0.0 110.602 -175.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.0 t -73.95 -10.89 60.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.359 0.664 . . . . 0.0 110.65 176.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -81.07 14.56 2.23 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.828 0.851 . . . . 0.0 112.349 175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.3 160.64 24.14 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 121.044 0.449 . . . . 0.0 109.873 168.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -115.94 149.52 38.62 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.02 1.328 . . . . 0.0 108.27 177.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 40.8 t -126.82 128.3 70.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 171.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.432 HG22 HG22 ' A' ' 25' ' ' VAL . 21.6 t -116.56 127.0 74.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.502 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 12.2 pt-20 -85.48 112.44 20.9 Favored 'General case' 0 C--O 1.22 -0.464 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 169.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 41.0 pt -112.05 139.72 35.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 171.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 2.5 tm-20 -124.76 107.57 11.07 Favored 'General case' 0 C--O 1.24 0.583 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 -178.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.5 t -162.49 164.85 26.8 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.178 0.591 . . . . 0.0 110.694 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -75.0 -54.72 6.68 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.813 0.845 . . . . 0.0 111.115 178.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -111.82 148.82 32.77 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.449 0.7 . . . . 0.0 110.647 -174.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.445 HD13 ' HB2' ' A' ' 40' ' ' GLN . 8.2 tp -106.96 -37.16 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 123.101 0.56 . . . . 0.0 112.142 -170.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -37.62 94.5 Favored Glycine 0 C--N 1.348 1.211 0 N-CA-C 113.924 0.329 . . . . 0.0 113.924 -167.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.4 t -66.27 -28.0 68.37 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.785 0.834 . . . . 0.0 112.251 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.593 HD13 HG12 ' A' ' 16' ' ' VAL . 2.0 pp -121.9 1.88 9.91 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -169.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 53.6 tp -157.99 137.36 11.83 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.634 0.774 . . . . 0.0 108.986 171.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 16.1 m -104.32 121.38 43.24 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.238 0.615 . . . . 0.0 111.361 -172.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mt -129.08 153.35 47.73 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 123.459 0.703 . . . . 0.0 111.4 -171.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.8 m -91.0 -30.22 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.664 0.786 . . . . 0.0 110.05 176.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -80.42 -43.71 20.51 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.324 0.65 . . . . 0.0 111.011 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -71.25 139.82 84.87 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.199 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -62.62 133.32 41.87 Favored 'Trans proline' 0 C--N 1.375 1.956 0 C-N-CA 122.879 2.386 . . . . 0.0 111.852 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -72.62 118.58 15.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.566 0.747 . . . . 0.0 110.182 -176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 1.192 0 C-N-CA 124.716 1.206 . . . . 0.0 110.85 -177.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.2 mmt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 110.704 -0.11 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.418 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 75.3 mtm180 51.06 71.75 0.41 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 125.185 1.394 . . . . 0.0 111.537 -174.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.48 HD22 ' HG3' ' A' ' 7' ' ' MET . 15.8 mt -106.44 166.51 10.49 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 114.713 -1.131 . . . . 0.0 110.186 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HB2' ' HA ' ' A' ' 32' ' ' ALA . 18.6 ptpt -89.66 178.51 6.25 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 167.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.574 ' HB3' HD11 ' A' ' 36' ' ' ILE . 14.2 m -56.26 -47.52 78.4 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.522 0.729 . . . . 0.0 111.746 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -60.58 -51.61 68.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.847 1.259 . . . . 0.0 111.102 177.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.48 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.6 tpt -73.3 -26.5 61.09 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.108 -0.951 . . . . 0.0 110.807 -169.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 41.4 t80 -74.05 -40.97 62.45 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.055 0.542 . . . . 0.0 109.927 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.5 t -74.09 -38.11 48.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 O-C-N 123.742 0.651 . . . . 0.0 110.671 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.3 m -55.7 -39.3 70.83 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.364 0.665 . . . . 0.0 110.528 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.56 -41.31 63.13 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 115.195 -0.911 . . . . 0.0 111.302 174.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.4 tt -60.0 -42.31 94.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 124.802 1.241 . . . . 0.0 111.365 -171.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' O ' HG22 ' A' ' 16' ' ' VAL . 1.6 mp -54.21 -50.91 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 O-C-N 123.799 0.687 . . . . 0.0 109.779 176.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -72.42 -24.77 61.27 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 122.814 0.446 . . . . 0.0 111.289 -176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -61.2 -45.09 96.02 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.162 0.585 . . . . 0.0 111.043 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG12 HD13 ' A' ' 109' ' ' LEU . 2.9 m -74.77 -34.99 35.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.628 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.31 -28.3 67.05 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.287 0.635 . . . . 0.0 110.597 176.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.79 -30.01 70.59 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.031 0.532 . . . . 0.0 110.748 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.39 -19.16 30.12 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.791 0.836 . . . . 0.0 111.549 176.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 102.77 4.14 48.94 Favored Glycine 0 C--N 1.347 1.142 0 C-N-CA 122.892 0.282 . . . . 0.0 113.625 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.52 -160.39 25.48 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 123.157 0.408 . . . . 0.0 113.317 175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -132.68 155.28 49.08 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.542 1.137 . . . . 0.0 108.737 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.484 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.12 158.4 36.28 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.842 0.457 . . . . 0.0 111.241 176.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -169.11 128.83 1.06 Allowed 'General case' 0 C--O 1.241 0.617 0 O-C-N 124.257 0.973 . . . . 0.0 109.832 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.8 t -74.12 99.66 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -68.61 -52.18 34.24 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.662 0.785 . . . . 0.0 111.34 -179.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 47.9 tttm -118.09 147.33 43.38 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.395 0.678 . . . . 0.0 109.462 -179.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -131.7 119.49 21.43 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 -176.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.39 -122.8 4.1 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-O 119.836 -0.425 . . . . 0.0 112.56 -178.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.63 126.37 35.6 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 -178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -60.47 -50.51 73.26 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.215 1.006 . . . . 0.0 112.463 -175.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.563 ' HA ' ' HB2' ' A' ' 4' ' ' LYS . . . -88.71 -62.47 1.48 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.2 0.6 . . . . 0.0 111.31 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.03 4.14 49.31 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -166.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -74.08 174.53 49.25 Favored Glycine 0 C--N 1.351 1.409 0 N-CA-C 114.549 0.579 . . . . 0.0 114.549 -175.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -104.88 162.24 13.5 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.872 0.869 . . . . 0.0 109.009 172.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD11 ' HB3' ' A' ' 5' ' ' SER . 40.9 mm -129.93 112.47 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 -179.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 72.3 m-85 -113.77 113.75 25.38 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 123.602 0.761 . . . . 0.0 109.602 173.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 43.7 t -108.25 140.52 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 114.685 -1.143 . . . . 0.0 108.514 -175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.14 112.12 17.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.594 0.758 . . . . 0.0 109.41 178.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HA ' HG13 ' A' ' 101' ' ' ILE . 46.7 tt0 -80.46 146.21 31.51 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.471 176.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 ttm180 -123.01 129.45 51.52 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.653 0.781 . . . . 0.0 109.513 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.495 HD21 ' ND2' ' A' ' 48' ' ' ASN . 3.9 mm? -97.92 147.85 24.04 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.273 1.029 . . . . 0.0 110.981 -174.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -69.89 -19.11 63.43 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 113.967 -1.47 . . . . 0.0 110.623 169.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -72.36 -21.88 61.24 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.067 0.947 . . . . 0.0 111.161 173.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.28 22.84 11.05 Favored Glycine 0 C--N 1.341 0.861 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.895 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -111.47 -178.4 3.44 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.559 0.743 . . . . 0.0 109.895 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.489 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 29.9 mt-10 -149.45 159.0 44.67 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.933 1.293 . . . . 0.0 110.025 173.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.495 ' ND2' HD21 ' A' ' 42' ' ' LEU . 23.4 m-80 -125.09 170.67 10.96 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.346 1.058 . . . . 0.0 108.534 173.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -139.35 141.68 37.63 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 179.131 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.494 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 46.9 m-85 -131.95 140.13 48.9 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.398 1.079 . . . . 0.0 109.302 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.67 160.61 24.58 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 176.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -70.93 108.65 2.35 Favored 'Trans proline' 0 C--N 1.364 1.363 0 C-N-CA 122.22 1.947 . . . . 0.0 110.656 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.32 151.14 97.45 Favored Pre-proline 0 C--O 1.246 0.908 0 C-N-CA 123.647 0.779 . . . . 0.0 110.907 -177.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -63.74 98.95 0.25 Allowed 'Trans proline' 0 C--N 1.379 2.15 0 C-N-CA 122.638 2.225 . . . . 0.0 111.352 176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -67.92 148.68 50.78 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.249 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.4 p -73.28 89.74 1.59 Allowed 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.192 0.597 . . . . 0.0 110.34 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -96.76 141.31 30.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.659 177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -109.61 116.08 31.08 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 170.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.2 t70 55.51 34.06 22.31 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.481 1.113 . . . . 0.0 111.624 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 64.39 15.24 9.38 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.675 1.19 . . . . 0.0 113.408 176.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.37 -53.1 39.87 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 122.999 0.52 . . . . 0.0 110.669 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.09 -15.78 57.76 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.251 1.02 . . . . 0.0 113.038 -173.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.61 -38.27 63.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 123.655 0.782 . . . . 0.0 110.946 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 7.8 ptt? -129.03 -3.93 5.08 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.886 1.275 . . . . 0.0 111.474 -169.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -121.31 -3.02 9.47 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.377 0.671 . . . . 0.0 111.093 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -142.37 165.48 27.29 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.842 0.857 . . . . 0.0 109.438 175.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 2' ' ' ARG . 32.0 tt0 -93.98 137.51 33.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.825 0.45 . . . . 0.0 110.259 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -87.54 131.92 34.22 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 123.537 0.735 . . . . 0.0 110.253 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -85.06 156.93 20.88 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 107.994 -1.114 . . . . 0.0 107.994 177.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.03 174.89 5.96 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.825 0.45 . . . . 0.0 110.656 -176.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -140.06 151.82 45.7 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.741 1.217 . . . . 0.0 108.703 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.9 m -84.95 104.21 14.69 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 26.7 mmm180 -65.29 -63.79 1.02 Allowed 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.853 0.861 . . . . 0.0 109.765 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.498 HD12 HD12 ' A' ' 49' ' ' LEU . 57.7 mt -118.21 155.67 30.11 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.402 1.081 . . . . 0.0 108.83 179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.94 135.98 13.84 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 65.51 26.8 72.01 Favored Glycine 0 C--N 1.356 1.669 0 O-C-N 123.986 0.803 . . . . 0.0 113.404 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 74' ' ' LEU . 30.5 m -114.24 173.75 3.06 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.351 1.06 . . . . 0.0 110.341 -175.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 13.8 pt-20 -86.24 166.12 15.95 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.84 0.456 . . . . 0.0 110.625 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.81 -21.99 63.84 Favored Glycine 0 C--N 1.347 1.144 0 O-C-N 123.859 0.724 . . . . 0.0 114.128 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -69.9 -40.22 75.74 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.08 0.552 . . . . 0.0 109.871 176.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.448 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 42.1 mm-40 -63.89 -40.89 97.58 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.441 0.696 . . . . 0.0 110.058 174.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 ' HG ' ' A' ' 49' ' ' LEU . 49.5 mm -59.79 -57.93 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.184 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.15 -20.05 64.86 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.443 0.697 . . . . 0.0 111.711 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.78 -29.22 70.45 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.469 0.708 . . . . 0.0 111.417 174.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.5 tp -82.98 -45.64 13.85 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 122.344 0.258 . . . . 0.0 111.549 170.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -57.16 -29.07 63.31 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -174.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -69.72 -35.2 74.81 Favored 'General case' 0 CA--C 1.551 1.006 0 O-C-N 123.398 0.437 . . . . 0.0 111.012 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -74.18 -46.6 41.09 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.795 0.838 . . . . 0.0 110.421 -179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -64.11 -42.47 96.88 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.239 0.616 . . . . 0.0 111.003 -176.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -68.57 -28.54 67.04 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.621 0.576 . . . . 0.0 111.36 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -62.81 -46.17 89.2 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.678 0.791 . . . . 0.0 109.729 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -76.66 -45.25 30.54 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.126 0.57 . . . . 0.0 110.846 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -151.71 104.45 3.03 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.973 0.909 . . . . 0.0 110.012 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 33.8 t -67.72 -25.27 65.57 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.043 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -67.99 15.06 0.05 Allowed 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -175.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.82 164.0 26.67 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 123.007 0.523 . . . . 0.0 109.799 165.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -118.55 128.13 54.28 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.554 1.142 . . . . 0.0 108.445 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' H ' ' HB3' ' A' ' 27' ' ' LYS . 43.4 t -101.74 129.95 52.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 175.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.1 t -130.37 121.31 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -85.64 132.66 34.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 169.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.507 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.2 pt -129.9 124.3 58.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 172.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -101.23 102.92 13.91 Favored 'General case' 0 C--O 1.239 0.505 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 5.7 t -164.5 156.48 16.17 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.75 0.82 . . . . 0.0 109.378 -174.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.62 -28.49 15.97 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.035 0.445 . . . . 0.0 110.375 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -103.48 152.08 22.08 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.62 1.168 . . . . 0.0 109.614 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 112' ' ' LEU . 10.0 tp -126.5 -38.79 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -175.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -61.61 -43.07 99.76 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.371 0.419 . . . . 0.0 113.107 -166.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.7 t -65.22 -23.66 67.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.291 1.036 . . . . 0.0 112.93 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD13 HG12 ' A' ' 16' ' ' VAL . 2.2 pp -120.25 -0.94 10.34 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.384 0.673 . . . . 0.0 112.486 -172.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.406 HD23 HD11 ' A' ' 106' ' ' ILE . 56.6 tp -170.55 124.05 0.68 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.127 0.971 . . . . 0.0 109.221 176.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 14.9 m -88.12 134.49 33.75 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.322 0.649 . . . . 0.0 111.0 -174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 106' ' ' ILE . 30.8 mt -132.57 149.16 52.36 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.948 0.899 . . . . 0.0 111.386 -173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.6 m -87.31 -20.91 7.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.157 0.983 . . . . 0.0 110.287 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -87.13 -69.56 0.67 Allowed 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.165 0.586 . . . . 0.0 109.969 -177.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -69.82 143.94 92.78 Favored Pre-proline 0 N--CA 1.483 1.217 0 CA-C-O 119.018 -0.515 . . . . 0.0 110.419 176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.58 167.78 23.22 Favored 'Trans proline' 0 C--N 1.379 2.134 0 C-N-CA 123.109 2.539 . . . . 0.0 112.983 -178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -70.93 115.53 10.17 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.684 -179.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.542 -179.688 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 120.974 0.416 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 64' ' ' MET . 53.8 ttt85 -75.66 122.97 24.76 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 169.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.548 ' HB2' ' HB3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -152.26 175.36 12.72 Favored 'General case' 0 C--O 1.243 0.729 0 C-N-CA 124.261 1.024 . . . . 0.0 109.405 -179.562 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm -69.27 165.24 21.0 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-O 120.579 0.228 . . . . 0.0 110.534 175.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.618 ' HB3' HD11 ' A' ' 36' ' ' ILE . 20.1 m -62.23 -34.76 77.11 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 123.731 0.812 . . . . 0.0 110.673 176.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.491 ' O ' HG22 ' A' ' 9' ' ' VAL . 4.3 tm-20 -65.77 -50.17 65.71 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.759 1.224 . . . . 0.0 110.28 173.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.548 ' HB3' ' HB2' ' A' ' 3' ' ' LEU . 7.9 tpt -67.63 -21.53 65.38 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.047 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -73.1 -47.92 40.21 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 176.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' GLU . 17.6 m -66.16 -37.58 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 O-C-N 123.583 0.552 . . . . 0.0 110.951 -177.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -63.58 -47.02 83.21 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.497 0.719 . . . . 0.0 110.134 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -66.11 -33.56 76.06 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.187 0.595 . . . . 0.0 111.316 177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 110' ' ' LEU . 24.9 tp -63.3 -43.79 96.86 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.067 1.347 . . . . 0.0 110.971 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 25' ' ' VAL . 80.2 mt -60.73 -40.11 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.871 175.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -26.22 61.88 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.187 177.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 76.0 mtp180 -69.53 -43.18 73.53 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 122.94 0.496 . . . . 0.0 110.512 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.585 HG12 HD13 ' A' ' 109' ' ' LEU . 10.4 m -71.56 -40.71 71.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 CA-C-O 119.385 -0.34 . . . . 0.0 110.692 -176.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' HD2' ' O ' ' A' ' 13' ' ' ILE . 51.6 m-85 -69.47 -27.9 65.62 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 123.008 0.523 . . . . 0.0 110.916 178.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.38 67.9 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.072 0.549 . . . . 0.0 111.32 169.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.88 4.66 40.42 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.842 0.857 . . . . 0.0 111.879 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.83 -12.13 68.3 Favored Glycine 0 C--N 1.353 1.51 0 N-CA-C 114.16 0.424 . . . . 0.0 114.16 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.38 170.26 52.52 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.008 0.337 . . . . 0.0 113.63 178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -107.6 159.11 16.7 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.878 1.271 . . . . 0.0 109.145 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.545 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -160.57 156.79 26.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.39 0.676 . . . . 0.0 111.462 173.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -168.02 132.55 1.74 Allowed 'General case' 0 C--N 1.351 0.636 0 O-C-N 124.33 1.019 . . . . 0.0 109.71 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 HD11 ' A' ' 13' ' ' ILE . 59.5 t -77.18 107.91 9.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 C-N-CA 123.256 0.622 . . . . 0.0 109.905 177.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -76.66 -61.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.496 0.718 . . . . 0.0 110.223 174.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -102.49 145.41 29.62 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.627 0.771 . . . . 0.0 110.076 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -144.17 123.53 13.08 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.525 0.73 . . . . 0.0 110.531 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -127.01 -123.54 2.65 Favored Glycine 0 C--N 1.342 0.872 0 CA-C-O 119.921 -0.377 . . . . 0.0 112.515 178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.28 127.15 32.51 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.642 0.777 . . . . 0.0 110.588 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -74.54 -46.98 35.51 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.158 0.583 . . . . 0.0 112.316 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -85.0 -55.42 4.07 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 122.913 0.485 . . . . 0.0 111.029 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.76 16.39 25.99 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -169.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.83 154.83 34.44 Favored Glycine 0 C--N 1.347 1.143 0 N-CA-C 114.054 0.382 . . . . 0.0 114.054 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -82.63 154.41 24.94 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 171.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 5' ' ' SER . 35.0 mm -130.71 119.75 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 78.9 m-85 -116.24 114.84 24.95 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.381 1.073 . . . . 0.0 109.053 174.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.18 132.41 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -112.38 110.52 20.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.557 ' HA ' HG13 ' A' ' 101' ' ' ILE . 45.4 tt0 -80.87 138.28 36.18 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 39.9 ttt85 -112.25 115.1 28.25 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 172.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -67.24 145.04 55.59 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -17.55 21.98 Favored 'General case' 0 CA--C 1.553 1.061 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -82.02 -38.83 24.42 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 154.65 -28.19 0.67 Allowed Glycine 0 C--N 1.35 1.359 0 O-C-N 123.324 0.39 . . . . 0.0 112.937 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -74.5 176.56 6.72 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.063 0.545 . . . . 0.0 111.832 -175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 46.0 mt-10 -144.91 166.66 24.63 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.193 0.997 . . . . 0.0 111.56 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -140.13 143.06 36.01 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.805 1.242 . . . . 0.0 107.9 176.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 82' ' ' ILE . 14.4 tp -106.95 144.23 33.89 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 178.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -131.52 149.98 52.32 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.484 1.113 . . . . 0.0 109.114 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -145.0 168.76 26.9 Favored Glycine 0 N--CA 1.469 0.884 0 CA-C-O 119.297 -0.724 . . . . 0.0 111.878 -177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -75.63 109.83 2.98 Favored 'Trans proline' 0 C--N 1.37 1.692 0 C-N-CA 122.71 2.274 . . . . 0.0 111.543 -177.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.73 149.69 77.93 Favored Pre-proline 0 N--CA 1.476 0.845 0 C-N-CA 123.053 0.541 . . . . 0.0 111.296 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.69 99.78 0.56 Allowed 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.514 2.143 . . . . 0.0 110.334 173.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.42 HE21 ' HB3' ' A' ' 62' ' ' ASP . 20.9 pt20 -62.78 148.85 45.63 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.827 -177.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.5 m -74.6 92.15 2.38 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.782 0.433 . . . . 0.0 110.373 -178.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -97.46 135.11 39.8 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 122.809 0.443 . . . . 0.0 111.306 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.73 126.47 51.96 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.212 1.005 . . . . 0.0 108.35 174.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 t70 67.23 14.16 9.64 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 125.126 1.37 . . . . 0.0 110.879 -178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 61.78 22.24 12.84 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 124.537 1.135 . . . . 0.0 111.375 -173.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.88 -56.7 10.43 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 122.932 0.493 . . . . 0.0 110.357 176.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.42 ' HB3' HE21 ' A' ' 55' ' ' GLN . 3.0 m-20 -55.72 -19.41 10.88 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -170.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.4 mm -57.27 -43.03 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 C-N-CA 123.981 0.912 . . . . 0.0 110.829 177.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -125.96 3.87 7.29 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.101 0.96 . . . . 0.0 112.527 -178.017 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.0 mmt180 -102.88 -50.78 3.44 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 121.105 0.479 . . . . 0.0 109.985 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.0 171.87 7.09 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.608 0.763 . . . . 0.0 111.503 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -86.63 169.66 12.51 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.679 0.792 . . . . 0.0 110.808 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -94.73 151.19 19.47 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.386 0.674 . . . . 0.0 110.05 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -121.28 151.27 40.23 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -101.45 175.48 5.56 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.29 0.636 . . . . 0.0 111.45 -172.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -139.79 162.73 34.44 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.7 1.2 . . . . 0.0 109.369 177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.405 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 32.9 m -98.99 106.32 18.56 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.411 0.684 . . . . 0.0 109.663 -177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -76.74 -53.45 7.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.63 0.772 . . . . 0.0 110.512 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.6 mt -126.92 161.01 29.31 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.131 0.972 . . . . 0.0 108.635 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -156.91 136.8 12.53 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.992 0.517 . . . . 0.0 111.333 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.57 22.33 67.76 Favored Glycine 0 C--N 1.354 1.564 0 O-C-N 123.674 0.608 . . . . 0.0 114.14 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 28.9 m -96.11 -169.04 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.09 0.956 . . . . 0.0 110.013 -177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 81' ' ' GLU . 12.3 pt-20 -104.73 166.84 10.12 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 171.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -62.93 -17.62 58.73 Favored Glycine 0 C--N 1.345 1.081 0 CA-C-N 115.98 -0.554 . . . . 0.0 114.367 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.81 -34.24 60.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.071 0.548 . . . . 0.0 110.748 176.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HG2' ' HG2' ' A' ' 78' ' ' GLU . 12.6 mm-40 -69.88 -38.05 76.23 Favored 'General case' 0 N--CA 1.484 1.249 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 175.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.514 HG23 HD13 ' A' ' 49' ' ' LEU . 45.3 mm -57.96 -56.07 18.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-N 114.823 -1.08 . . . . 0.0 109.377 174.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.63 -24.24 66.99 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 114.283 -1.326 . . . . 0.0 111.908 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.78 -34.99 79.65 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 123.838 0.711 . . . . 0.0 111.712 178.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.7 tp -83.52 -43.24 15.96 Favored 'General case' 0 C--N 1.35 0.629 0 CA-C-N 117.564 0.166 . . . . 0.0 111.279 171.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 73.8 mt -50.24 -40.45 47.8 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 123.387 0.675 . . . . 0.0 111.428 -176.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.72 -33.37 75.49 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.422 0.689 . . . . 0.0 111.826 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -73.54 -53.28 10.93 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.475 0.71 . . . . 0.0 110.127 -178.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -59.17 -43.23 92.15 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.995 0.918 . . . . 0.0 111.409 -177.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.4 ptt180 -70.46 -30.82 67.74 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 123.441 0.463 . . . . 0.0 111.92 179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -36.01 81.04 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.773 0.829 . . . . 0.0 110.525 178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -76.38 -61.5 1.93 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 122.971 0.509 . . . . 0.0 109.793 171.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.39 103.97 5.04 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.622 0.769 . . . . 0.0 109.721 -176.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.9 t -78.95 -0.75 32.23 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.036 1.334 . . . . 0.0 112.834 -174.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -75.69 6.31 5.04 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 pp -77.36 161.68 27.85 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 121.136 0.493 . . . . 0.0 110.179 174.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -115.73 143.59 45.16 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.304 1.042 . . . . 0.0 108.779 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 97.5 t -119.26 117.95 55.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.1 t -112.44 119.44 60.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 175.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 9.0 pt-20 -86.16 107.67 17.98 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.557 HG13 ' HA ' ' A' ' 40' ' ' GLN . 45.1 pt -104.94 134.13 47.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 173.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -115.37 110.27 19.11 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.593 -1.262 . . . . 0.0 107.593 -179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.4 t -159.28 159.38 33.98 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 121.101 0.477 . . . . 0.0 111.385 -173.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -76.54 -44.68 33.91 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.93 0.892 . . . . 0.0 110.648 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -119.23 176.96 5.07 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.738 0.815 . . . . 0.0 109.745 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 10.3 tp -129.03 -32.65 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -173.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -63.52 -35.66 92.33 Favored Glycine 0 C--N 1.344 1.013 0 N-CA-C 114.635 0.614 . . . . 0.0 114.635 -165.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.6 t -73.83 -26.34 60.54 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.959 0.504 . . . . 0.0 112.224 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.585 HD13 HG12 ' A' ' 16' ' ' VAL . 2.7 pp -118.11 -3.33 11.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 -167.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD13 HD13 ' A' ' 12' ' ' LEU . 48.4 tp -155.74 136.35 13.35 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 18.5 m -95.76 127.38 41.75 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.028 0.531 . . . . 0.0 110.915 -175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 mt -130.26 149.94 51.73 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.584 0.753 . . . . 0.0 111.72 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.46 -30.51 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 124.153 0.981 . . . . 0.0 109.725 174.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -75.02 -61.64 1.82 Allowed 'General case' 0 C--N 1.352 0.685 0 C-N-CA 123.579 0.752 . . . . 0.0 110.901 -174.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.405 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 29.6 mm-40 -62.99 147.63 93.93 Favored Pre-proline 0 CA--C 1.551 1.008 0 O-C-N 123.717 0.636 . . . . 0.0 111.283 -179.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.45 155.83 67.75 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.517 2.145 . . . . 0.0 112.178 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.99 -39.23 91.53 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.497 0.719 . . . . 0.0 111.815 -177.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.252 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 174.134 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.1 mmm . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 56.19 68.03 0.92 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.635 1.174 . . . . 0.0 111.405 177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.519 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.3 OUTLIER -132.38 -176.62 4.14 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.933 0.893 . . . . 0.0 110.726 -173.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.458 ' HD3' ' HB3' ' A' ' 31' ' ' GLU . 98.5 mttt -72.05 158.09 36.59 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.234 170.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.599 ' HB3' HD11 ' A' ' 36' ' ' ILE . 10.5 m -60.08 -35.07 74.39 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.154 0.982 . . . . 0.0 110.474 172.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 31' ' ' GLU . 34.1 tt0 -60.29 -51.02 71.31 Favored 'General case' 0 C--O 1.243 0.73 0 C-N-CA 124.539 1.135 . . . . 0.0 111.402 175.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.519 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.4 tpt -73.21 -25.69 60.86 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.735 -1.12 . . . . 0.0 110.833 -177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -59.49 -53.91 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 O-C-N 124.005 0.816 . . . . 0.0 111.016 176.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.434 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 22.7 m -55.94 -48.37 75.86 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 124.014 0.821 . . . . 0.0 110.21 -178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -62.68 -39.28 93.44 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.536 179.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.1 tt -59.96 -42.95 95.23 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 124.353 1.061 . . . . 0.0 109.865 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.562 HG23 ' HB3' ' A' ' 23' ' ' ALA . 87.0 mt -62.39 -40.51 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.347 177.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' HD3' ' O ' ' A' ' 10' ' ' SER . 4.8 mpt_? -68.81 -30.36 68.91 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 122.986 0.514 . . . . 0.0 111.31 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 97.6 mtt180 -66.98 -46.18 75.39 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.393 0.677 . . . . 0.0 110.6 178.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.597 HG12 HD13 ' A' ' 109' ' ' LEU . 5.3 m -71.23 -41.61 74.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -175.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -68.26 -28.95 67.66 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.145 0.578 . . . . 0.0 110.763 179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.91 -34.71 77.15 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.033 0.533 . . . . 0.0 110.808 171.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.59 -5.27 59.29 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.706 0.802 . . . . 0.0 112.162 179.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.71 -3.84 61.16 Favored Glycine 0 C--N 1.353 1.493 0 N-CA-C 113.862 0.305 . . . . 0.0 113.862 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.79 -170.56 44.53 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 123.393 0.521 . . . . 0.0 113.691 177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -124.91 159.18 31.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.736 1.214 . . . . 0.0 109.096 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.59 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -157.58 158.97 36.59 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.722 0.809 . . . . 0.0 110.462 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.75 120.18 1.43 Allowed 'General case' 0 CA--C 1.537 0.47 0 O-C-N 124.254 0.971 . . . . 0.0 109.383 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -87.53 104.05 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 121.678 0.752 . . . . 0.0 109.984 178.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -77.34 -59.96 2.57 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.437 -178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -100.15 147.01 26.16 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.34 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.441 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.3 tttm -127.98 118.1 22.93 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 123.837 0.855 . . . . 0.0 109.258 -178.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.63 -139.37 7.82 Favored Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.251 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.32 144.93 39.9 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.148 0.579 . . . . 0.0 111.253 -176.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 65.6 mt-10 -67.54 -63.16 1.12 Allowed 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.435 -176.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.77 -34.07 14.04 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 122.725 0.41 . . . . 0.0 111.934 -173.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.1 27.6 9.45 Favored 'General case' 0 N--CA 1.486 1.332 0 C-N-CA 123.233 0.613 . . . . 0.0 111.637 -174.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.9 142.15 16.8 Favored Glycine 0 C--N 1.342 0.865 0 CA-C-N 116.748 -0.206 . . . . 0.0 113.024 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -76.42 156.76 32.87 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 168.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD11 ' HB3' ' A' ' 5' ' ' SER . 31.2 mm -137.95 105.71 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -174.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -109.56 112.1 24.0 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.5 t -111.84 146.52 16.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.669 1.188 . . . . 0.0 108.35 -176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.471 ' HG2' ' HA ' ' A' ' 100' ' ' GLU . 10.1 ptp85 -116.97 125.64 51.71 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 172.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.629 HE21 HG23 ' A' ' 103' ' ' THR . 2.5 tt0 -83.72 141.43 31.46 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 166.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -120.38 114.03 21.23 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 169.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.452 HD21 HD21 ' A' ' 48' ' ' ASN . 3.1 mm? -69.57 148.95 48.71 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.435 0.459 . . . . 0.0 110.025 174.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -60.58 -19.63 58.14 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.203 1.001 . . . . 0.0 111.49 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -67.92 -51.92 42.26 Favored 'General case' 0 C--N 1.352 0.695 0 C-N-CA 123.358 0.663 . . . . 0.0 110.384 170.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 141.07 -13.95 2.82 Favored Glycine 0 C--N 1.344 0.977 0 CA-C-N 115.896 -0.593 . . . . 0.0 113.165 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -71.98 163.29 28.12 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 117.264 0.532 . . . . 0.0 109.99 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -139.54 156.03 47.15 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 122.898 0.479 . . . . 0.0 111.201 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.452 HD21 HD21 ' A' ' 42' ' ' LEU . 18.0 m-80 -135.82 138.53 42.65 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.331 1.052 . . . . 0.0 108.71 -178.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.507 HD13 HG23 ' A' ' 82' ' ' ILE . 12.4 tp -101.8 143.94 31.09 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.556 0.743 . . . . 0.0 109.301 175.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -126.37 162.13 26.25 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.56 1.144 . . . . 0.0 110.415 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.43 168.45 32.64 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 176.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -75.84 115.78 4.26 Favored 'Trans proline' 0 CA--C 1.554 1.512 0 C-N-CA 122.165 1.91 . . . . 0.0 111.745 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 71' ' ' GLU . . . -83.28 158.7 63.42 Favored Pre-proline 0 N--CA 1.478 0.956 0 C-N-CA 122.564 0.345 . . . . 0.0 110.147 177.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -63.93 161.64 32.21 Favored 'Trans proline' 0 C--N 1.379 2.173 0 C-N-CA 122.408 2.072 . . . . 0.0 111.517 170.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -120.16 171.96 8.11 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.581 0.752 . . . . 0.0 109.633 -177.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -85.19 97.78 10.1 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -128.33 143.48 51.02 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.479 0.711 . . . . 0.0 110.827 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.86 126.53 54.91 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.998 0.919 . . . . 0.0 109.28 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.03 16.65 10.09 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 124.642 1.177 . . . . 0.0 111.746 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 62.27 20.06 11.48 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.343 1.057 . . . . 0.0 112.273 -176.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -77.68 -35.35 52.35 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.004 0.921 . . . . 0.0 111.089 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -84.57 -4.71 59.12 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.735 0.814 . . . . 0.0 113.013 -171.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 48.2 mm -50.73 -48.73 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 C-N-CA 123.511 0.724 . . . . 0.0 111.704 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.55 -26.05 17.3 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.643 -176.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -98.99 2.38 46.29 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.123 0.969 . . . . 0.0 111.776 -166.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -141.97 146.8 36.03 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.191 0.996 . . . . 0.0 108.846 175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.66 144.69 37.18 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -97.79 158.29 15.6 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.516 0.726 . . . . 0.0 109.813 177.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -99.62 159.92 14.68 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 107.533 -1.284 . . . . 0.0 107.533 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.402 ' HA ' ' H ' ' A' ' 53' ' ' ALA . 4.1 m-85 -101.37 176.44 5.24 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 122.88 0.472 . . . . 0.0 110.46 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.568 ' HB3' ' HB2' ' A' ' 53' ' ' ALA . 14.7 pt-20 -137.61 159.39 42.1 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.347 1.059 . . . . 0.0 109.783 -178.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -99.71 112.47 24.71 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -72.63 -50.84 22.53 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.47 0.652 . . . . 0.0 109.912 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 63.8 mt -130.24 147.06 51.92 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 108.168 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -144.47 135.16 24.81 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.201 0.455 . . . . 0.0 112.121 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 59.65 44.41 96.9 Favored Glycine 0 C--N 1.355 1.594 0 O-C-N 124.306 1.004 . . . . 0.0 112.625 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 31.2 m -121.24 -178.36 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 C-N-CA 124.666 1.187 . . . . 0.0 109.757 -175.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.23 168.17 10.59 Favored 'General case' 0 C--O 1.247 0.97 0 C-N-CA 123.097 0.559 . . . . 0.0 110.959 176.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.15 -25.68 69.81 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.939 -176.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -59.9 -45.97 90.83 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.223 0.609 . . . . 0.0 110.32 177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -61.71 -40.53 95.34 Favored 'General case' 0 C--O 1.245 0.843 0 C-N-CA 123.644 0.778 . . . . 0.0 111.122 179.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG23 HD13 ' A' ' 49' ' ' LEU . 31.0 mm -58.96 -56.09 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.069 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.75 -178.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.2 68.06 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 123.882 0.873 . . . . 0.0 112.103 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.63 -35.17 77.14 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 123.438 0.695 . . . . 0.0 111.438 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.13 -41.08 20.95 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 123.476 0.485 . . . . 0.0 111.278 175.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 80.9 mt -56.23 -32.2 64.23 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 122.803 0.441 . . . . 0.0 111.728 -175.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 -33.94 68.58 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.669 0.606 . . . . 0.0 110.492 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -72.91 -44.48 61.19 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.003 0.521 . . . . 0.0 109.898 -176.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -73.85 -39.52 63.93 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.493 -175.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -66.19 -28.94 69.14 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 123.27 0.356 . . . . 0.0 111.572 177.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -59.01 -43.9 91.62 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.998 0.919 . . . . 0.0 110.224 175.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -77.53 -51.29 10.95 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.26 0.624 . . . . 0.0 111.234 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -139.62 108.27 5.92 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.088 0.955 . . . . 0.0 109.789 -174.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.3 t -78.08 -2.22 36.23 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.085 0.954 . . . . 0.0 111.822 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.7 2.04 7.3 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 2.4 pt? -77.31 150.47 35.24 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 121.389 0.614 . . . . 0.0 111.098 177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.441 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 18.6 m95 -107.52 141.47 38.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.821 1.249 . . . . 0.0 107.706 172.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.5 t -113.97 116.62 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 t -121.11 113.11 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 39' ' ' ARG . 8.1 pt-20 -90.03 108.14 19.55 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.083 0.468 . . . . 0.0 109.921 175.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 23' ' ' ALA . 29.5 pt -105.11 145.15 13.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 C-N-CA 123.654 0.782 . . . . 0.0 109.722 174.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -118.65 116.64 27.02 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 107.898 -1.149 . . . . 0.0 107.898 173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.629 HG23 HE21 ' A' ' 40' ' ' GLN . 9.8 t -159.23 153.67 24.09 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.966 0.412 . . . . 0.0 111.292 -176.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -82.69 -38.15 23.8 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.17 0.988 . . . . 0.0 111.288 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.97 132.88 54.34 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.574 0.749 . . . . 0.0 109.258 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.443 HG12 HD11 ' A' ' 112' ' ' LEU . 9.2 tp -95.17 -36.54 6.87 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.937 0 C-N-CA 122.874 0.47 . . . . 0.0 112.258 -172.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -60.5 -41.16 98.57 Favored Glycine 0 N--CA 1.475 1.298 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 -165.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 13.0 t -65.89 -27.19 68.02 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.229 1.012 . . . . 0.0 112.681 -175.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.597 HD13 HG12 ' A' ' 16' ' ' VAL . 1.7 pp -117.85 -3.7 11.18 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.76 0.824 . . . . 0.0 112.009 -172.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 57.6 tp -170.12 106.45 0.33 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.326 1.05 . . . . 0.0 108.736 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.2 m -85.56 132.68 34.14 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.63 0.772 . . . . 0.0 111.153 -177.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.443 HD11 HG12 ' A' ' 106' ' ' ILE . 10.9 mt -127.85 147.83 50.45 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.635 1.174 . . . . 0.0 110.107 -171.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.2 m -73.73 -27.73 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 123.774 0.829 . . . . 0.0 110.285 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -67.76 -55.88 11.4 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.112 0.965 . . . . 0.0 110.282 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -72.18 154.29 92.23 Favored Pre-proline 0 CA--C 1.551 1.016 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.407 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -59.61 -70.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 122.575 2.184 . . . . 0.0 113.241 -173.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -152.71 -173.5 4.59 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.519 1.127 . . . . 0.0 109.507 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.301 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.697 171.723 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.9 mmm . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 63.4 mtm180 -81.4 105.97 13.0 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.612 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.4 OUTLIER -154.21 173.99 15.37 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 124.983 1.313 . . . . 0.0 108.886 -175.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 mttp -68.24 161.65 26.74 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.633 0.373 . . . . 0.0 110.928 175.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.625 ' HB3' HD11 ' A' ' 36' ' ' ILE . 22.6 m -62.81 -30.29 71.36 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.802 0.841 . . . . 0.0 111.009 177.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -61.18 -52.85 63.08 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.685 0.794 . . . . 0.0 110.844 173.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.612 ' HG3' HD22 ' A' ' 3' ' ' LEU . 11.8 tpt -74.87 -22.86 58.42 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.94 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -65.51 -43.41 90.19 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.95 -51.26 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 124.045 0.841 . . . . 0.0 110.659 175.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.458 ' O ' ' HD3' ' A' ' 14' ' ' ARG . 18.9 m -58.08 -37.92 75.4 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.046 0.841 . . . . 0.0 110.938 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -73.15 -38.72 66.15 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.63 0.772 . . . . 0.0 110.874 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 tt -63.1 -42.95 99.69 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.648 1.179 . . . . 0.0 109.45 -177.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 23' ' ' ALA . 89.7 mt -60.46 -42.58 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.807 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.476 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.458 ' HD3' ' O ' ' A' ' 10' ' ' SER . 8.4 mpt_? -69.94 -28.66 65.75 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 123.017 0.527 . . . . 0.0 111.305 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 98.7 mtt180 -66.53 -42.3 87.42 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.241 0.616 . . . . 0.0 110.791 177.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.59 HG12 HD13 ' A' ' 109' ' ' LEU . 4.4 m -72.56 -39.29 61.33 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 CA-C-N 116.517 -0.311 . . . . 0.0 111.135 -175.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -69.63 -28.72 66.15 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.775 0.43 . . . . 0.0 110.451 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -32.27 73.87 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 122.843 0.457 . . . . 0.0 110.787 170.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.29 -16.62 36.96 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.746 0.818 . . . . 0.0 111.931 176.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 110.98 -16.23 28.02 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 122.982 0.325 . . . . 0.0 113.537 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.99 -176.64 41.17 Favored Glycine 0 CA--C 1.535 1.323 0 N-CA-C 114.22 0.448 . . . . 0.0 114.22 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -112.56 157.61 20.96 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.541 1.137 . . . . 0.0 109.544 -175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.504 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -158.1 157.42 32.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.548 0.739 . . . . 0.0 111.178 173.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -167.84 122.38 0.98 Allowed 'General case' 0 C--N 1.351 0.655 0 O-C-N 123.949 0.78 . . . . 0.0 110.142 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -85.83 102.07 11.0 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.895 0 CA-C-O 121.578 0.704 . . . . 0.0 110.426 177.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -74.71 -61.24 1.94 Allowed 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.616 1.167 . . . . 0.0 111.583 -179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 98' ' ' VAL . 42.9 tttm -95.92 148.05 23.03 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 120.83 0.348 . . . . 0.0 110.489 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 61.5 tttm -125.1 148.02 48.74 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.492 1.117 . . . . 0.0 109.908 176.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -138.86 -127.9 2.52 Favored Glycine 0 CA--C 1.527 0.821 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.902 169.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.33 145.96 27.98 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.87 0.868 . . . . 0.0 111.543 -176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -62.54 -64.08 1.03 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.47 0.708 . . . . 0.0 112.098 -173.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -43.73 8.03 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.907 0.483 . . . . 0.0 111.124 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.15 -2.61 45.37 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.634 0.773 . . . . 0.0 112.966 -172.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -83.37 144.26 22.32 Favored Glycine 0 C--N 1.347 1.147 0 CA-C-O 119.906 -0.386 . . . . 0.0 112.812 -176.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 96' ' ' LEU . . . -77.16 161.77 27.94 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 171.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 5' ' ' SER . 30.3 mm -132.41 115.68 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 50' ' ' TYR . 84.2 m-85 -114.3 116.43 28.97 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.8 t -115.75 138.49 46.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.977 1.311 . . . . 0.0 109.407 -176.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.657 HH22 HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -111.55 125.07 53.52 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 170.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.624 HE21 HG23 ' A' ' 103' ' ' THR . 4.7 tt0 -81.25 134.5 35.61 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 165.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' HA ' ' HG2' ' A' ' 47' ' ' GLU . 47.1 ttt85 -113.59 120.6 41.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD12 ' HB2' ' A' ' 46' ' ' ARG . 71.3 mt -92.43 157.51 16.55 Favored 'General case' 0 C--O 1.241 0.657 0 C-N-CA 123.857 0.863 . . . . 0.0 110.623 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -54.62 -30.93 56.31 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 125.183 1.393 . . . . 0.0 111.954 170.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -66.57 -28.85 68.85 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.643 1.177 . . . . 0.0 111.802 -178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.91 -5.96 37.07 Favored Glycine 0 C--N 1.34 0.774 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.683 -170.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' HB2' HD12 ' A' ' 42' ' ' LEU . 33.5 mmt180 -87.8 164.38 15.96 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.217 0.607 . . . . 0.0 109.532 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.482 ' HG2' ' HA ' ' A' ' 41' ' ' ARG . 47.2 mt-10 -140.58 160.95 38.89 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.557 0.743 . . . . 0.0 110.054 -176.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.417 HD22 ' HG2' ' A' ' 40' ' ' GLN . 9.0 m-80 -137.0 130.53 31.59 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -176.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 ' HB3' ' HB2' ' A' ' 73' ' ' ARG . 0.5 OUTLIER -99.88 142.21 31.66 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -177.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 37.7 m-85 -130.19 134.17 47.1 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 124.376 1.071 . . . . 0.0 108.747 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.83 165.89 14.66 Favored Glycine 0 C--N 1.336 0.562 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -75.23 103.44 1.73 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 C-N-CA 122.165 1.91 . . . . 0.0 110.1 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.48 148.16 81.19 Favored Pre-proline 0 N--CA 1.479 0.996 0 C-N-CA 123.112 0.565 . . . . 0.0 111.535 -172.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.45 104.11 0.17 Allowed 'Trans proline' 0 C--N 1.378 2.124 0 C-N-CA 122.708 2.272 . . . . 0.0 110.587 173.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.99 142.66 50.53 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.696 0.799 . . . . 0.0 110.351 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 45.8 m -76.21 76.25 3.02 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 172.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -102.09 146.99 27.14 Favored 'General case' 0 C--N 1.353 0.731 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.208 -174.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.76 113.19 23.95 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 169.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.8 t70 63.26 34.71 13.09 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.419 1.087 . . . . 0.0 110.494 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 47.27 27.49 0.87 Allowed 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 126.214 1.806 . . . . 0.0 113.856 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -72.48 -50.64 24.57 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.362 0.665 . . . . 0.0 110.677 176.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.79 -7.79 5.66 Favored 'General case' 0 N--CA 1.492 1.628 0 C-N-CA 124.247 1.019 . . . . 0.0 113.535 -174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 38.1 mm -63.2 -41.46 92.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.087 0 CA-C-O 121.564 0.697 . . . . 0.0 109.751 172.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 21.3 mtm -99.87 -45.13 5.82 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.877 1.271 . . . . 0.0 110.131 -178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 mmm-85 -74.11 -8.04 54.74 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 114.473 -1.24 . . . . 0.0 111.86 -173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -146.81 152.14 38.26 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.974 0.91 . . . . 0.0 109.931 176.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.46 126.9 31.16 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 171.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -82.92 135.82 34.78 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 120.963 0.411 . . . . 0.0 109.917 176.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -91.3 164.71 13.77 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.491 0.716 . . . . 0.0 109.693 -177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -101.96 173.12 6.54 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.616 0.766 . . . . 0.0 110.846 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -134.79 148.01 50.11 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.638 1.175 . . . . 0.0 108.69 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -81.34 100.13 9.04 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 175.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.552 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 29.5 mmm180 -67.28 -59.39 3.46 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.682 0.793 . . . . 0.0 109.671 177.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 60.8 mt -122.19 158.42 29.44 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.691 0.796 . . . . 0.0 109.147 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -154.44 136.62 14.79 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.577 0.351 . . . . 0.0 111.199 177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.3 22.56 71.14 Favored Glycine 0 C--N 1.354 1.538 0 O-C-N 123.892 0.745 . . . . 0.0 113.352 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.39 -166.35 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.368 1.067 . . . . 0.0 109.847 -177.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.408 ' O ' HG12 ' A' ' 82' ' ' ILE . 11.5 pt-20 -122.13 174.81 6.71 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.687 0.395 . . . . 0.0 110.765 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.7 -23.63 63.33 Favored Glycine 0 C--N 1.35 1.347 0 O-C-N 124.012 0.82 . . . . 0.0 114.688 -177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.22 -49.0 75.93 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.894 0.478 . . . . 0.0 110.571 173.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -62.86 -39.81 95.54 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.002 0.814 . . . . 0.0 110.752 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.533 HG23 ' HG ' ' A' ' 49' ' ' LEU . 43.5 mm -59.5 -50.48 79.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.077 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.467 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -28.45 64.15 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.666 0.786 . . . . 0.0 111.79 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -66.94 -31.79 72.61 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.441 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.55 HD22 HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -80.75 -38.1 29.28 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 119.815 -0.135 . . . . 0.0 110.804 174.083 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.657 HD21 HH22 ' A' ' 39' ' ' ARG . 62.3 mt -51.14 -39.29 55.95 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 122.878 0.471 . . . . 0.0 111.941 178.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.85 -32.53 70.98 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.867 0.729 . . . . 0.0 109.949 -178.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 mtt85 -73.18 -41.67 63.61 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.476 -178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -77.41 -41.2 40.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.554 0.741 . . . . 0.0 111.764 -174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -66.88 -25.96 66.65 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 123.571 0.544 . . . . 0.0 111.39 177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.0 ttm180 -55.6 -43.56 76.17 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 123.211 0.605 . . . . 0.0 111.111 173.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -89.64 -46.15 8.84 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 123.951 0.901 . . . . 0.0 111.624 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -136.8 96.84 3.39 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.939 1.296 . . . . 0.0 108.362 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.4 t -78.09 -2.8 39.11 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.197 178.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -82.97 14.83 3.05 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.244 0.618 . . . . 0.0 112.115 178.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.433 ' HA ' ' O ' ' A' ' 35' ' ' ALA . 1.5 pp -73.81 156.33 37.9 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 122.65 0.38 . . . . 0.0 110.369 176.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.41 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 15.2 m95 -116.07 128.01 55.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.182 0.993 . . . . 0.0 108.916 178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.452 HG13 ' CZ ' ' A' ' 39' ' ' ARG . 53.1 t -97.89 117.09 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.1 t -120.79 126.59 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -93.14 143.73 25.97 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 168.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 43.1 pt -137.59 129.39 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 173.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -108.17 102.5 11.64 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 107.537 -1.283 . . . . 0.0 107.537 -177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.624 HG23 HE21 ' A' ' 40' ' ' GLN . 7.9 t -168.37 154.61 7.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.17 0.988 . . . . 0.0 108.876 -176.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -89.92 -33.97 16.23 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.1 0.56 . . . . 0.0 110.442 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -101.57 109.98 21.89 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.915 0.886 . . . . 0.0 110.057 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.0 tp -85.86 -33.72 7.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 122.974 0.509 . . . . 0.0 111.266 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -73.05 5.53 18.35 Favored Glycine 0 C--N 1.348 1.222 0 N-CA-C 115.436 0.934 . . . . 0.0 115.436 -167.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.4 t -115.46 -9.59 12.07 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 117.875 0.838 . . . . 0.0 111.633 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD13 HG12 ' A' ' 16' ' ' VAL . 1.8 pp -135.56 0.54 2.75 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.235 0.614 . . . . 0.0 112.247 -171.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.9 tp -165.49 128.66 2.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.268 1.027 . . . . 0.0 108.763 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.6 m -94.33 137.33 33.62 Favored 'General case' 0 C--O 1.242 0.66 0 C-N-CA 123.666 0.786 . . . . 0.0 110.754 -177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.1 mt -130.64 148.02 52.38 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.442 1.097 . . . . 0.0 110.529 -173.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 20.8 m -77.95 -27.12 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.488 0.715 . . . . 0.0 110.213 174.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -79.17 -57.58 3.65 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.152 0.981 . . . . 0.0 111.062 -176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -65.3 148.44 97.96 Favored Pre-proline 0 CA--C 1.552 1.033 0 C-N-CA 123.311 0.644 . . . . 0.0 111.432 -176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -63.97 145.88 90.52 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.704 2.269 . . . . 0.0 112.614 -173.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -77.92 169.68 17.88 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.111 0.964 . . . . 0.0 111.534 -175.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.271 0 C-N-CA 123.551 0.74 . . . . 0.0 110.622 -179.513 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 mmt . . . . . 0 N--CA 1.482 1.144 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.28 29.93 13.8 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 125.415 1.486 . . . . 0.0 111.893 -177.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.551 HD22 ' HG3' ' A' ' 7' ' ' MET . 0.6 OUTLIER -91.92 174.07 7.52 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 122.969 0.508 . . . . 0.0 110.632 -177.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.501 ' HB3' ' O ' ' A' ' 31' ' ' GLU . 38.0 mtmm -68.08 162.21 25.13 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.875 -177.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.701 ' HB3' HD11 ' A' ' 36' ' ' ILE . 49.9 m -55.79 -42.89 76.25 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.463 1.105 . . . . 0.0 111.752 176.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -68.56 -44.3 74.78 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.519 0.728 . . . . 0.0 110.514 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.551 ' HG3' HD22 ' A' ' 3' ' ' LEU . 8.1 tpt -68.22 -24.36 64.91 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.488 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -76.48 -49.95 15.26 Favored 'General case' 0 C--N 1.35 0.602 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 177.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.412 HG21 ' CE3' ' A' ' 97' ' ' TRP . 33.8 m -67.32 -36.51 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 123.615 0.572 . . . . 0.0 111.848 -175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m -62.92 -49.61 74.11 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.029 0.531 . . . . 0.0 109.634 176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 15' ' ' ARG . . . -65.41 -32.52 74.19 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.365 0.666 . . . . 0.0 111.499 177.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.3 tp -61.48 -40.72 95.59 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 124.897 1.279 . . . . 0.0 111.14 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.529 HD11 HG23 ' A' ' 25' ' ' VAL . 95.8 mt -64.58 -36.92 78.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.745 0 CA-C-N 114.643 -1.162 . . . . 0.0 110.518 176.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -74.15 -25.12 59.56 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 122.486 0.314 . . . . 0.0 110.899 177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 11' ' ' ALA . 70.2 mtp180 -66.39 -43.86 84.68 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 122.758 0.423 . . . . 0.0 110.318 174.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG12 HD13 ' A' ' 109' ' ' LEU . 3.8 m -70.78 -38.64 73.64 Favored 'Isoleucine or valine' 0 C--N 1.355 0.826 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 -176.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -71.45 -28.41 63.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.933 0.493 . . . . 0.0 110.739 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.01 -30.03 70.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.893 0.477 . . . . 0.0 111.037 170.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.55 -19.9 28.76 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.559 0.743 . . . . 0.0 111.701 176.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.56 -4.73 37.28 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-O 119.767 -0.463 . . . . 0.0 113.895 179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.46 -177.37 51.74 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 122.958 0.314 . . . . 0.0 113.214 177.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.547 ' HB3' ' HB3' ' A' ' 102' ' ' GLU . 92.8 t80 -112.87 159.0 19.48 Favored 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.225 1.01 . . . . 0.0 109.585 -177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' HB2' HG21 ' A' ' 16' ' ' VAL . . . -161.91 160.44 27.92 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.158 0.583 . . . . 0.0 111.932 174.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -172.63 137.36 0.8 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.488 1.118 . . . . 0.0 109.844 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.529 HG23 HD11 ' A' ' 13' ' ' ILE . 86.1 t -82.14 115.02 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 C-N-CA 122.974 0.51 . . . . 0.0 109.761 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -82.87 -51.4 7.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 123.895 0.878 . . . . 0.0 110.775 177.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -114.95 140.45 49.01 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.612 0.765 . . . . 0.0 110.002 -175.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.448 ' HG3' ' CH2' ' A' ' 97' ' ' TRP . 57.2 tttm -129.81 119.32 23.19 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.536 0.734 . . . . 0.0 109.96 -174.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.31 -132.26 4.04 Favored Glycine 0 C--N 1.343 0.956 0 CA-C-O 119.91 -0.383 . . . . 0.0 112.505 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.83 121.15 15.96 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 124.052 0.941 . . . . 0.0 111.494 -176.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.501 ' O ' ' HB3' ' A' ' 4' ' ' LYS . 44.0 mt-10 -63.21 -35.39 80.15 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.818 0.847 . . . . 0.0 112.975 -172.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -94.96 -47.17 6.53 Favored 'General case' 0 N--CA 1.488 1.444 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.19 11.24 14.06 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -168.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.43 138.96 43.39 Favored Glycine 0 N--CA 1.476 1.334 0 N-CA-C 113.791 0.276 . . . . 0.0 113.791 -179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.71 109.32 11.59 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.571 0.748 . . . . 0.0 110.674 -177.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.701 HD11 ' HB3' ' A' ' 5' ' ' SER . 24.6 mm -85.53 105.34 14.21 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 O-C-N 122.121 -0.362 . . . . 0.0 110.401 -171.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' O ' ' HA ' ' A' ' 98' ' ' VAL . 72.1 m-85 -103.11 113.2 26.47 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 123.954 0.902 . . . . 0.0 109.416 172.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -113.8 139.23 40.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 123.821 0.848 . . . . 0.0 109.066 -177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.74 ' HD3' HG21 ' A' ' 82' ' ' ILE . 19.6 ptt85 -113.09 122.96 49.13 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.539 ' HA ' HG13 ' A' ' 101' ' ' ILE . 0.1 OUTLIER -78.37 143.8 36.52 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' HB3' ' HA ' ' A' ' 102' ' ' GLU . 50.3 ttt85 -124.99 115.85 21.22 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 123.087 0.555 . . . . 0.0 109.97 -178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.522 HD21 ' ND2' ' A' ' 48' ' ' ASN . 2.4 mm? -84.57 154.61 22.51 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 123.941 0.896 . . . . 0.0 109.537 175.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -21.45 64.6 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.794 0.838 . . . . 0.0 112.182 177.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -72.82 -12.64 61.07 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.391 1.076 . . . . 0.0 111.514 -178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.72 -7.21 63.07 Favored Glycine 0 C--N 1.345 1.064 0 N-CA-C 111.879 -0.489 . . . . 0.0 111.879 -177.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -89.82 167.81 12.56 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 123.098 0.559 . . . . 0.0 110.141 178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -147.61 166.44 27.37 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.692 0.797 . . . . 0.0 110.627 -168.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.522 ' ND2' HD21 ' A' ' 42' ' ' LEU . 26.6 m-80 -136.55 133.09 36.05 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 175.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' HG ' HG23 ' A' ' 82' ' ' ILE . 0.7 OUTLIER -101.16 143.13 31.63 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 -179.057 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.432 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 31.0 m-85 -129.84 143.67 50.93 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 124.814 1.245 . . . . 0.0 108.787 179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.22 169.58 23.93 Favored Glycine 0 N--CA 1.466 0.689 0 CA-C-O 119.06 -0.856 . . . . 0.0 111.179 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_endo -66.88 111.18 2.11 Favored 'Trans proline' 0 C--N 1.367 1.55 0 C-N-CA 122.351 2.034 . . . . 0.0 110.931 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.55 153.8 95.29 Favored Pre-proline 0 N--CA 1.482 1.15 0 C-N-CA 123.333 0.653 . . . . 0.0 111.763 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.24 95.12 0.25 Allowed 'Trans proline' 0 C--N 1.378 2.108 0 C-N-CA 122.548 2.166 . . . . 0.0 111.119 170.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -57.8 125.44 23.03 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.702 0.801 . . . . 0.0 109.853 175.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 p -81.26 78.44 8.04 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 121.725 0.774 . . . . 0.0 109.272 176.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -89.59 177.91 6.42 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.898 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.15 101.66 7.52 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 177.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.5 t70 75.68 -68.3 0.21 Allowed 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.535 1.934 . . . . 0.0 110.801 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -175.5 11.31 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.887 0.875 . . . . 0.0 110.883 -177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -74.79 -56.9 4.29 Favored 'General case' 0 N--CA 1.483 1.209 0 O-C-N 122.029 -0.42 . . . . 0.0 111.39 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -66.47 -8.94 29.52 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mm -50.02 -44.03 21.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.761 1.224 . . . . 0.0 111.658 177.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.6 11.83 6.82 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.962 0.905 . . . . 0.0 111.199 -178.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmm-85 -109.54 -13.41 14.56 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.471 0.708 . . . . 0.0 109.884 173.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -135.64 139.27 43.64 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.554 1.142 . . . . 0.0 108.816 175.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.91 157.33 37.63 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 123.646 0.778 . . . . 0.0 111.253 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -65.54 135.25 54.88 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.001 0.92 . . . . 0.0 109.789 171.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -117.2 151.14 37.51 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 173.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HB2' HD23 ' A' ' 112' ' ' LEU . 2.6 m-85 -100.48 172.11 7.33 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-O 120.884 0.373 . . . . 0.0 110.713 -172.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 50' ' ' TYR . 11.0 pt-20 -134.77 145.58 48.55 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.894 1.278 . . . . 0.0 107.999 176.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.401 ' OG1' ' HG2' ' A' ' 115' ' ' GLN . 13.2 m -79.7 102.23 8.86 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 176.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.506 ' HB2' ' HB3' ' A' ' 49' ' ' LEU . 25.8 mmm180 -68.39 -71.7 0.2 Allowed 'General case' 0 C--N 1.348 0.51 0 C-N-CA 123.767 0.827 . . . . 0.0 110.031 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.45 HD12 HD12 ' A' ' 49' ' ' LEU . 77.1 mt -105.74 157.6 17.32 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.825 0.85 . . . . 0.0 108.88 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -152.54 135.46 15.55 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 122.507 0.323 . . . . 0.0 111.63 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 57.51 31.32 63.13 Favored Glycine 0 C--N 1.358 1.751 0 O-C-N 124.304 1.002 . . . . 0.0 113.254 -177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.8 m -99.5 -165.36 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 C-N-CA 125.009 1.324 . . . . 0.0 108.26 -177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -127.69 176.09 7.79 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.152 0.887 . . . . 0.0 110.962 176.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -60.57 -24.79 62.35 Favored Glycine 0 C--N 1.352 1.425 0 O-C-N 123.902 0.751 . . . . 0.0 113.824 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -62.32 -48.59 79.15 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.438 0.695 . . . . 0.0 110.349 172.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -67.71 -37.26 82.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.281 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.74 HG21 ' HD3' ' A' ' 39' ' ' ARG . 37.9 mm -65.29 -57.09 12.38 Favored 'Isoleucine or valine' 0 C--N 1.346 0.418 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.657 -179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.97 -24.65 68.0 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.002 0.814 . . . . 0.0 111.638 -179.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.91 -46.16 89.09 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.389 0.676 . . . . 0.0 110.912 174.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD22 HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -74.55 -40.52 61.64 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 119.819 -0.134 . . . . 0.0 110.715 178.229 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 82' ' ' ILE . 81.4 mt -58.07 -29.04 65.1 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.111 0.564 . . . . 0.0 110.736 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.458 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 6.0 tp10 -68.98 -41.57 77.7 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.237 1.415 . . . . 0.0 111.123 173.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 71.9 mtt85 -72.61 -53.22 12.48 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.807 0.443 . . . . 0.0 110.536 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HG2' ' HG ' ' A' ' 85' ' ' LEU . 21.9 mm-40 -63.55 -34.52 77.98 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.269 1.028 . . . . 0.0 112.214 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 87' ' ' GLU . 14.8 ptt180 -64.65 -30.68 71.71 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 123.382 0.426 . . . . 0.0 111.293 177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -66.15 -41.21 90.73 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.382 0.673 . . . . 0.0 110.055 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -78.95 -42.25 27.35 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.135 0.574 . . . . 0.0 110.236 178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -142.15 96.68 3.0 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.439 1.096 . . . . 0.0 109.629 -175.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.4 t -77.14 -8.83 58.19 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.559 0.743 . . . . 0.0 110.904 177.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -84.89 9.55 14.06 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.439 0.695 . . . . 0.0 112.32 177.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.73 154.84 36.15 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 174.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TRP . . . . . 0.448 ' CH2' ' HG3' ' A' ' 28' ' ' LYS . 20.6 m95 -112.82 135.7 53.28 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.437 1.095 . . . . 0.0 109.306 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.468 ' HA ' ' O ' ' A' ' 37' ' ' PHE . 58.3 t -109.48 125.42 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 172.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.505 HG22 HG22 ' A' ' 25' ' ' VAL . 22.1 t -119.78 123.12 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 171.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 23' ' ' ALA . 10.4 pt-20 -87.08 129.6 34.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 169.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 40' ' ' GLN . 47.7 pt -126.77 131.3 71.25 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 175.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.547 ' HB3' ' HB3' ' A' ' 22' ' ' PHE . 42.7 tt0 -103.06 106.17 16.64 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.485 HG21 HD11 ' A' ' 109' ' ' LEU . 9.0 t -165.37 162.04 19.31 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.276 0.63 . . . . 0.0 110.621 -176.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -102.99 -29.55 11.33 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.386 1.074 . . . . 0.0 109.765 171.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -102.94 99.68 9.6 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 108.948 -175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.464 HG12 HD11 ' A' ' 112' ' ' LEU . 8.5 tp -84.21 -35.05 10.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.953 -177.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -67.87 -17.17 69.16 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.46 0.544 . . . . 0.0 114.46 -169.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 10.1 t -85.41 -27.53 25.71 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.127 0.571 . . . . 0.0 111.541 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.53 HD13 HG12 ' A' ' 16' ' ' VAL . 2.6 pp -121.94 -3.26 9.15 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -168.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 61.2 tp -159.98 137.76 9.9 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.671 0.788 . . . . 0.0 109.003 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 m -95.9 133.38 40.14 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.884 0.473 . . . . 0.0 111.104 -176.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 70' ' ' PHE . 20.8 mt -127.21 151.02 49.24 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.828 0.851 . . . . 0.0 110.659 -178.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 28.4 m -85.37 -24.64 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 C-N-CA 123.949 0.9 . . . . 0.0 109.944 172.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -85.58 -65.89 0.96 Allowed 'General case' 0 C--N 1.35 0.606 0 C-N-CA 123.786 0.834 . . . . 0.0 111.068 -173.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.401 ' HG2' ' OG1' ' A' ' 72' ' ' THR . 15.7 mm100 -64.17 142.13 98.21 Favored Pre-proline 0 N--CA 1.477 0.883 0 N-CA-C 112.303 0.482 . . . . 0.0 112.303 -175.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -53.12 121.73 9.9 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.36 2.706 . . . . 0.0 111.701 167.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -80.32 -156.51 0.13 Allowed 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 124.107 0.963 . . . . 0.0 110.245 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.158 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.126 -175.036 . . . . . . . . 0 0 . 1 stop_ save_