data_2lcg_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 2lcg _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 ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.935 0.398 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -123.36 120.92 34.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.474 HD12 HG11 ' A' ' 113' ' ' VAL . 63.4 mt -99.06 132.02 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -114.14 113.25 24.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.257 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.4 m -113.98 136.1 51.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.495 176.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 8.7 pt-20 -146.81 157.67 43.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.979 0.418 . . . . 0.0 111.907 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -161.36 146.17 13.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.602 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 12.4 m -97.65 124.39 41.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.982 0.42 . . . . 0.0 111.324 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -97.55 132.79 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.11 11.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.29 149.72 39.61 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.446 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.05 146.62 95.64 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.626 2.217 . . . . 0.0 112.253 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 ' HB ' HG21 ' A' ' 99' ' ' VAL . 12.2 p -60.24 -26.59 37.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.592 ' HA2' HD22 ' A' ' 76' ' ' ASN . . . -57.24 -37.36 80.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.322 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.87 -39.71 17.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.665 0.269 . . . . 0.0 110.541 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.55 -42.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 63.7 t-105 -56.42 -49.42 74.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.017 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -74.35 -31.88 62.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.398 -174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.67 -23.5 63.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -93.1 -9.37 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.879 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 p -117.57 -22.07 8.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.2 m -83.65 114.34 53.0 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.54 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.5 Cg_exo -52.46 -35.9 67.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.376 2.718 . . . . 0.0 113.305 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.19 -36.01 82.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.249 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -33.44 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.725 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.546 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 75.1 mt -56.08 -44.84 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.212 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 63.5 pttt -68.02 -6.35 22.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.881 0.372 . . . . 0.0 111.396 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.9 -22.64 20.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.106 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.546 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 43.6 p-90 -121.14 -5.66 9.47 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.42 71.46 3.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.4 0.619 . . . . 0.0 110.566 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.65 136.77 7.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.572 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.37 -25.41 57.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.262 0.553 . . . . 0.0 110.746 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -157.33 172.85 17.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -65.23 -23.42 67.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.836 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.3 m-20 -62.64 -22.01 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.319 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 76.4 m95 -107.59 155.41 20.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.572 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -155.7 150.1 25.89 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 27' ' ' LYS . 5.8 m -91.77 126.58 36.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 p -92.91 -38.88 11.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.95 151.3 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.72 115.34 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 m -115.34 113.54 23.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.827 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.54 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 65.8 t -131.32 115.96 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.904 0.383 . . . . 0.0 111.37 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -104.21 108.27 19.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.8 tp -87.06 102.07 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.391 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -175.23 161.62 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.377 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.03 107.32 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.6 -2.8 32.38 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 159.73 30.86 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.88 156.4 39.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 117.208 0.504 . . . . 0.0 111.241 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.512 ' HB2' HG21 ' A' ' 43' ' ' VAL . 45.6 p90 -127.25 144.51 51.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -141.04 107.63 5.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.213 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -114.64 132.75 56.27 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -98.05 104.09 16.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.2 ttm -100.47 114.19 27.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -124.95 152.08 44.61 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -98.62 150.0 22.2 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.002 0.429 . . . . 0.0 111.011 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.5 ptpt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.652 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -153.52 168.28 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.913 0.356 . . . . 0.0 110.781 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.06 130.52 55.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -104.99 106.5 17.02 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -123.36 141.83 51.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.233 -176.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.42 163.36 32.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.754 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -112.95 132.46 55.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -80.31 105.49 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.152 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -84.38 -40.3 18.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.835 0.35 . . . . 0.0 110.696 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 53.4 mmtt -133.59 126.56 31.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.5 0.667 . . . . 0.0 111.945 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.5 108.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.765 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.562 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 47.4 t -108.95 109.19 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 41.7 tt0 -60.07 124.68 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.993 -172.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.592 HD22 ' HA2' ' A' ' 14' ' ' GLY . 12.0 m120 65.41 24.71 11.99 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.128 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.1 tttt -139.88 -64.68 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.129 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 10.3 ptm85 -150.67 139.0 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.245 0.545 . . . . 0.0 111.5 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mt -118.23 107.73 22.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.807 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 49.8 mt-10 -106.97 112.67 25.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -134.82 164.94 26.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 0.0 111.575 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.76 120.83 35.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.915 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -111.38 108.1 17.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.529 0.68 . . . . 0.0 110.22 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.32 -111.62 3.56 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.244 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -109.72 -0.13 18.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -105.07 163.82 12.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.387 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 7.3 t -136.66 146.09 45.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.924 0.393 . . . . 0.0 110.556 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.27 142.6 30.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.203 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 10.0 ptpp? -118.8 125.57 49.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.332 0.587 . . . . 0.0 110.221 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.38 110.14 26.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.526 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -107.07 133.67 51.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.868 0.366 . . . . 0.0 110.149 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -99.59 103.82 15.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.541 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.6 mt -88.75 115.62 26.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.955 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.99 106.68 12.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.348 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 160.76 25.29 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.99 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 24.0 Cg_endo -62.82 -22.88 74.23 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.498 2.132 . . . . 0.0 112.904 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' HG3' HG21 ' A' ' 8' ' ' THR . 7.9 pt20 -92.76 -9.88 38.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.244 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.04 -163.47 28.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.727 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.463 HG21 ' HB ' ' A' ' 13' ' ' VAL . 42.2 t -104.66 119.49 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 117.099 0.449 . . . . 0.0 111.281 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.9 m -85.25 110.28 18.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.257 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 45.7 t -81.24 106.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.569 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -104.05 113.38 26.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.505 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.1 108.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -104.03 116.71 32.72 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -130.69 153.69 48.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.414 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.6 134.24 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.927 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.69 146.85 52.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -73.98 152.08 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 p -95.12 -21.32 18.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.363 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.74 -5.85 57.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.526 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.46 147.27 36.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.616 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.574 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 39.4 Cg_exo -57.63 106.19 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.613 2.209 . . . . 0.0 112.129 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.474 HG11 HD12 ' A' ' 3' ' ' ILE . 86.7 t -55.64 -43.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.249 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.99 -41.62 92.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.15 -41.91 99.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 30.2 mt-30 -67.34 -48.21 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.22 0.534 . . . . 0.0 109.823 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.18 -52.12 67.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.556 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -67.12 -28.64 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.031 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.56 -52.71 49.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.584 175.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.455 ' HB3' HG21 ' A' ' 5' ' ' VAL . 47.0 m95 -66.55 -37.41 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.26 -41.71 97.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.97 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.6 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 73.6 mt -61.05 -42.64 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.8 -37.09 85.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -62.94 -43.02 99.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.492 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 52.6 t30 -67.44 -44.94 77.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.346 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 131' ' ' VAL . 55.0 t80 -59.14 -50.26 74.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.679 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -50.15 -56.63 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.161 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmt180 -65.0 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.953 -176.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -62.75 -39.6 94.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 127' ' ' PHE . 46.1 t -70.81 -40.05 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 0.0 110.337 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -74.24 -25.92 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.653 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -87.32 -16.04 36.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.935 0.398 . . . . 0.0 110.168 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -77.21 -15.24 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.676 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.822 176.484 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.521 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 9.3 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.098 0.475 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.3 98.58 5.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.267 0.556 . . . . 0.0 109.954 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.3 mt -93.67 135.25 28.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 m -121.24 111.31 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.049 0.452 . . . . 0.0 110.327 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.42 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.8 m -113.66 142.07 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.81 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.3 pt-20 -142.95 164.64 29.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 0.0 111.542 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -159.4 151.5 20.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.973 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 51.4 m -110.88 116.68 31.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -93.68 147.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.455 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.37 11.83 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.157 0.503 . . . . 0.0 111.222 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.59 150.03 38.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.8 152.91 53.74 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.737 2.291 . . . . 0.0 112.138 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.53 -27.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.43 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.3 -40.94 98.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.586 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HZ3' HD22 ' A' ' 135' ' ' LEU . 82.6 mttt -80.52 -36.88 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.624 -0.339 . . . . 0.0 110.363 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 HG13 ' A' ' 131' ' ' VAL . 41.2 t -65.28 -42.12 93.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 54.9 t-105 -62.02 -51.75 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.947 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.91 -41.46 95.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.032 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.26 -31.77 73.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.845 0.355 . . . . 0.0 111.459 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.96 -17.53 37.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -108.12 -30.12 8.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . 27.2 m -73.36 116.7 53.76 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 110.619 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 10.9 Cg_endo -54.53 -45.26 42.33 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.255 2.637 . . . . 0.0 112.829 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 48.5 mm-40 -70.2 -15.42 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.421 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 4.2 t70 -89.58 -43.61 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.657 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 81.8 mt -52.43 -43.2 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 55.5 mtmt -61.44 -12.24 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -97.39 -8.01 30.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.657 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 60.5 p-90 -131.73 -15.17 3.11 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.92 94.31 2.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.67 111.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.069 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.37 -6.43 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.35 0.595 . . . . 0.0 110.358 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -161.42 150.96 16.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.027 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.36 -1.3 40.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 110.765 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.82 -16.03 60.15 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.16 0.505 . . . . 0.0 109.751 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -111.82 152.15 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.298 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 39' ' ' THR . 2.5 p80 -141.95 135.49 29.43 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -83.85 110.97 18.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -83.41 -41.77 17.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.549 -174.123 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.84 156.84 42.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.77 118.13 4.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.773 0.32 . . . . 0.0 110.97 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.4 m -112.94 115.0 27.74 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.53 122.49 62.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.918 -176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -111.2 96.84 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.99 101.31 7.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.751 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -175.73 164.09 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.966 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.8 103.59 2.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.67 -3.86 29.21 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.471 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 151.54 23.34 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.07 161.21 19.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.082 0.467 . . . . 0.0 110.969 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.33 144.11 51.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.93 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -143.75 122.2 12.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.157 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 t -128.15 136.35 51.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -89.4 105.2 17.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.296 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -104.85 113.79 27.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -122.88 149.45 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.68 142.83 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 120.72 0.295 . . . . 0.0 111.695 -176.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.29 163.18 39.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.197 0.523 . . . . 0.0 111.232 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.43 100.55 13.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.662 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -75.82 105.7 7.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.03 142.96 42.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.88 175.77 39.99 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -124.62 137.34 54.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.13 0.465 . . . . 0.0 111.202 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -78.8 98.16 6.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -90.48 -23.67 20.91 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -148.14 114.79 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.948 0.404 . . . . 0.0 109.935 -177.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 79' ' ' ILE . 57.7 t -139.37 133.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -174.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -132.54 111.39 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.588 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 32.3 tt0 -60.01 135.62 57.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.385 -170.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 72.0 3.19 4.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.326 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.807 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 10.2 mmpt? -113.81 -77.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.612 0.244 . . . . 0.0 110.906 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -158.16 163.35 37.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.431 HG22 HG22 ' A' ' 73' ' ' VAL . 60.2 mt -127.62 126.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.677 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.2 mt-10 -113.65 110.48 20.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -119.78 146.53 45.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 110.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.85 145.44 45.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 111.484 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.61 104.65 6.15 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.661 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.45 -121.82 9.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.155 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -103.64 -2.66 26.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.033 0.444 . . . . 0.0 110.8 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -107.08 152.05 24.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.513 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 t -139.37 155.95 47.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -174.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.32 130.16 34.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.554 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 104' ' ' SER . 14.8 ptpt -113.78 131.1 56.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG13 HG23 ' A' ' 103' ' ' VAL . 46.5 t -111.95 111.84 37.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.63 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -106.52 134.17 50.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.873 0.368 . . . . 0.0 110.451 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -105.81 103.51 13.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.7 mt -108.28 134.22 51.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.06 114.94 15.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.276 0.56 . . . . 0.0 110.598 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -106.84 160.15 27.34 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.564 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 12.8 Cg_endo -58.1 -24.27 65.33 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.235 1.957 . . . . 0.0 112.371 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.88 5.37 40.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.71 -130.35 4.51 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.48 118.12 54.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.945 0.402 . . . . 0.0 110.612 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 58.4 m -88.43 110.25 20.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.202 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -85.18 105.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.258 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -106.48 110.28 22.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.096 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.443 HG23 HG13 ' A' ' 90' ' ' VAL . 47.3 t -107.11 111.92 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.799 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 10.9 t -107.43 118.42 36.69 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 52.9 p90 -127.59 154.46 45.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 111.213 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -87.14 116.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.778 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -89.15 146.72 24.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.113 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.87 130.06 42.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.463 HG22 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.25 1.74 31.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -170.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.97 7.8 43.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.207 0.527 . . . . 0.0 111.043 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.41 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 70.5 m-85 -127.97 148.72 68.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.523 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 52.9 Cg_exo -52.72 120.25 7.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.403 2.069 . . . . 0.0 112.048 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.41 HG12 HD13 ' A' ' 3' ' ' ILE . 48.8 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.405 -174.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 0.9 OUTLIER -68.71 -33.92 74.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -177.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 109.956 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 50.4 mt-30 -68.37 -50.21 54.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -56.43 -48.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.525 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mm-40 -68.69 -37.97 79.97 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.9 -53.36 46.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.405 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.475 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 80.5 m95 -60.03 -40.13 88.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.703 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -62.78 -44.23 96.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.327 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.33 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.576 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 119' ' ' GLY . 78.4 mt -59.16 -45.14 92.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.591 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -41.16 99.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.731 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -67.99 -42.0 81.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.822 0.344 . . . . 0.0 110.603 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -63.97 -39.32 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.534 ' O ' HG22 ' A' ' 131' ' ' VAL . 68.7 t80 -60.86 -50.88 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.576 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 59.6 tttp -52.61 -53.27 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.294 0.372 . . . . 0.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -57.66 -33.62 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 110.857 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -75.05 -29.14 60.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.055 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 127' ' ' PHE . 40.3 t -82.13 -35.03 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 75.1 mm-40 -59.79 -36.75 77.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 109.953 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 p -81.24 3.22 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.394 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -95.75 3.14 54.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.451 0.643 . . . . 0.0 109.454 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.453 HD22 ' HZ3' ' A' ' 15' ' ' LYS . 90.5 mt . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.302 174.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.53 132.29 56.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.189 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt -108.41 134.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.767 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 m -105.8 111.24 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.843 0.354 . . . . 0.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.4 135.12 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 6.5 pt-20 -150.51 146.09 26.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.341 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.06 138.02 33.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.967 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.5 m -92.52 112.45 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.86 0.362 . . . . 0.0 110.687 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.25 144.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.47 11.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB3' HD23 ' A' ' 135' ' ' LEU . . . -111.06 151.16 42.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.786 -0.188 . . . . 0.0 110.833 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.6 Cg_exo -70.54 164.58 34.81 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.12 2.547 . . . . 0.0 112.044 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 99' ' ' VAL . 12.0 p -56.83 -32.86 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.61 50.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.943 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 66.9 mttm -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.688 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.33 -51.19 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.696 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.499 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 28.1 t-105 -53.62 -46.67 70.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.832 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.17 -49.99 75.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.937 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.92 -20.15 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.746 0.308 . . . . 0.0 111.753 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.489 ' HB ' HD21 ' A' ' 45' ' ' LEU . 20.5 p -102.95 -14.02 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -175.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.5 m -83.11 111.22 28.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 122.345 -0.222 . . . . 0.0 110.597 178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.506 ' HA ' HD13 ' A' ' 26' ' ' ILE . 14.8 Cg_endo -57.39 -27.62 76.62 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.189 2.593 . . . . 0.0 112.673 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 24' ' ' GLU . 4.4 tp10 -70.04 -43.56 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.943 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.52 -37.63 83.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.304 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 22' ' ' THR . 69.5 mt -54.94 -40.93 55.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.568 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 51.3 mttp -58.92 -17.29 23.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.836 0.35 . . . . 0.0 111.68 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.529 ' OE1' ' HE1' ' A' ' 130' ' ' HIS . 96.6 mt-30 -100.34 -12.24 19.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.535 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 51.5 p-90 -127.29 -9.74 5.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.583 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.05 58.24 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.427 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.19 125.56 5.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.469 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.22 62.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.257 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -146.43 160.99 41.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.02 -7.99 53.7 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.306 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -73.55 -19.76 60.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.466 0.65 . . . . 0.0 109.503 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 60.0 m95 -102.51 162.79 12.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.578 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -148.93 132.14 16.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 m -76.81 105.66 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -35.79 25.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.566 -172.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -148.69 133.54 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.121 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.6 110.44 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.939 0.4 . . . . 0.0 111.037 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -121.54 124.11 43.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.657 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.527 HG22 ' HB2' ' A' ' 51' ' ' PHE . 93.3 t -128.9 121.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.41 -174.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.67 102.35 13.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.893 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 21' ' ' THR . 60.0 tp -80.77 91.76 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.485 0.66 . . . . 0.0 110.32 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.512 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -166.79 154.38 9.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.513 -178.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.33 109.29 6.74 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.56 2.59 46.99 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.512 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -93.81 153.99 21.44 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -114.17 161.89 17.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.527 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.5 p90 -134.76 147.41 50.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.845 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -139.05 117.08 11.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.217 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 23.0 t -129.79 108.6 10.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.758 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 36.9 ttp-105 -85.75 115.82 23.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.9 mtp -100.14 114.54 28.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.323 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.532 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 41.6 mt-10 -121.57 163.1 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.109 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -92.31 149.8 21.22 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 111.577 -178.281 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.854 -0.499 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -163.37 142.12 8.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.691 0.281 . . . . 0.0 110.603 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 m-20 -83.61 106.13 15.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.54 107.14 9.78 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 140.62 44.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.976 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.74 166.21 30.26 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.618 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 18.1 m -132.33 130.28 40.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.754 0.277 . . . . 0.0 110.294 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -77.66 109.95 12.08 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -84.42 -30.75 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.987 0.422 . . . . 0.0 110.639 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 31.5 ttmt -149.21 136.42 19.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.107 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.42 104.31 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 77' ' ' LYS . 23.3 t -105.66 105.52 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.1 tt0 -58.76 137.25 57.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.506 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 49.29 28.28 2.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.591 1.156 . . . . 0.0 113.001 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.543 ' HD2' HG13 ' A' ' 74' ' ' VAL . 38.7 ttmt -137.86 -68.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.157 -0.339 . . . . 0.0 111.622 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.46 ' NH1' ' HD2' ' A' ' 89' ' ' LYS . 9.3 ptp180 -149.5 143.76 25.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.224 0.535 . . . . 0.0 111.72 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.1 mt -117.37 118.57 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.735 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 52.2 mt-10 -112.97 117.55 32.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 110.076 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -140.23 153.54 46.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.193 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -113.25 102.97 10.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.398 0.618 . . . . 0.0 109.967 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.5 -113.37 4.05 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.475 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.48 -2.84 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 0.0 111.042 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 76.4 mtm180 -113.98 151.5 32.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.357 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.1 t -125.3 156.86 37.97 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.38 138.66 41.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HD2' ' NH1' ' A' ' 78' ' ' ARG . 28.7 ttpt -113.3 111.5 22.13 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG11 HG21 ' A' ' 103' ' ' VAL . 48.6 t -96.11 111.82 27.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.3 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.35 134.17 51.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.93 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.01 104.09 14.25 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.456 HD11 ' HD3' ' A' ' 102' ' ' ARG . 50.0 mt -96.26 108.4 20.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.445 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.547 ' HG2' HG23 ' A' ' 99' ' ' VAL . 29.2 mt-10 -80.52 107.27 13.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.535 0.684 . . . . 0.0 110.89 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.474 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -105.82 161.06 23.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.788 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -60.8 -19.87 63.53 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.684 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -99.83 5.13 45.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 110.822 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.35 175.97 14.25 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.969 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.547 HG23 ' HG2' ' A' ' 94' ' ' GLU . 92.4 t -91.45 123.33 43.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 0.0 110.748 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 55.8 m -94.63 115.88 28.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.232 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.53 105.59 11.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' A' ' 93' ' ' LEU . 18.4 ttt180 -105.42 107.79 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.352 -174.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.432 HG21 HG11 ' A' ' 90' ' ' VAL . 45.5 t -108.53 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.6 m -100.41 106.72 18.33 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -115.88 150.48 36.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.69 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.526 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 85.9 t -71.74 123.49 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.911 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.68 146.89 27.92 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.324 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 129.04 35.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.182 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.9 p -73.22 -17.39 61.35 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.912 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -94.14 6.36 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -123.18 150.68 60.51 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.895 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.56 131.0 39.96 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.567 2.178 . . . . 0.0 112.254 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.21 -37.89 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.662 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.8 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.892 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.88 -52.74 61.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.338 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.43 -41.09 96.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.69 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -69.41 -46.97 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.578 0.228 . . . . 0.0 110.808 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.49 -41.07 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.048 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.75 -51.22 60.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -67.33 -36.3 81.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.559 0.218 . . . . 0.0 111.129 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.88 -38.21 88.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 110.255 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.06 82.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.722 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 119' ' ' GLY . 74.5 mt -66.52 -42.63 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.64 -39.43 93.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 94.3 m-20 -63.14 -42.87 99.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.738 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.535 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 55.5 t30 -67.3 -41.18 85.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 0.0 109.984 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.48 -44.04 97.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.32 -47.59 81.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.703 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 41.7 mtm180 -59.6 -42.07 91.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.115 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.529 ' HE1' ' OE1' ' A' ' 28' ' ' GLN . 39.2 t60 -58.04 -40.08 80.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.929 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.57 -50.79 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.122 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.534 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 76.5 mt-10 -65.96 -32.62 74.21 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -174.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.4 t -78.68 -11.45 59.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.368 . . . . 0.0 110.35 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -100.34 -8.83 22.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 76.5 mt . . . . . 0 C--O 1.233 0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -100.35 126.84 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.809 0.337 . . . . 0.0 111.164 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.491 HD12 HG13 ' A' ' 113' ' ' VAL . 63.2 mt -110.95 123.1 66.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -103.01 111.29 23.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.965 0.412 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -115.69 137.05 50.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.655 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.6 160.81 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.541 0.686 . . . . 0.0 112.487 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -151.85 119.6 6.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.829 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.616 ' O ' ' HE2' ' A' ' 128' ' ' LYS . 34.7 m -90.48 106.3 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.74 147.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.287 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 12.18 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 111.712 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 135' ' ' LEU . . . -105.04 149.95 38.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.743 -178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.61 159.34 28.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.58 2.187 . . . . 0.0 111.918 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.68 -33.58 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.39 92.56 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.4 -38.82 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.719 0.295 . . . . 0.0 110.51 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.1 -41.71 79.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.49 -53.28 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -67.97 -37.06 81.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.436 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.061 0.458 . . . . 0.0 110.973 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -84.48 -16.15 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.208 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 p -107.61 -19.47 13.54 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.559 ' O ' HG13 ' A' ' 26' ' ' ILE . 71.7 m -79.55 109.61 12.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 122.42 -0.175 . . . . 0.0 110.935 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.44 -32.1 95.6 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.007 2.471 . . . . 0.0 113.005 -174.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.56 -45.61 82.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.48 -30.27 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.816 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 22' ' ' THR . 70.3 mt -56.04 -41.97 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 22.8 mtpp -59.41 -16.41 23.15 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.692 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -93.82 -37.41 11.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.468 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 40.2 p-90 -107.76 -10.94 15.5 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -85.71 87.92 7.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.371 0.605 . . . . 0.0 110.813 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.57 117.18 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.317 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.1 -20.44 45.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -147.0 158.78 44.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.038 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -73.03 -1.56 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.176 0.512 . . . . 0.0 111.135 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -103.88 -2.04 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.207 0.527 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -129.63 155.74 45.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.69 152.89 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 14.6 m -74.1 114.06 12.0 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -83.88 -43.57 15.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 0.0 110.838 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.84 128.35 45.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.188 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.8 124.75 22.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.572 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -138.32 113.67 9.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.917 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 51' ' ' PHE . 92.4 t -109.18 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.63 101.42 12.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -84.75 93.41 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HG2' ' HA3' ' A' ' 49' ' ' GLY . 14.9 ptp180 -163.26 155.99 18.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.31 112.31 10.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.31 -8.36 35.33 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' A' ' 46' ' ' ARG . . . -91.27 176.89 40.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.571 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.06 150.69 43.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HB2' HG21 ' A' ' 43' ' ' VAL . 31.2 p90 -116.38 144.25 44.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 175.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -118.15 116.49 26.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.134 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -113.46 108.33 17.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 19.6 ttp180 -91.3 98.74 11.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.126 0.488 . . . . 0.0 110.345 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.52 113.92 22.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.693 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HG2' ' CA ' ' A' ' 63' ' ' GLY . 37.6 mt-10 -127.23 157.07 40.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.63 148.27 38.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.858 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 -177.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.446 -0.696 0 CA-C-O 120.809 0.116 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -158.39 165.89 33.58 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 p-10 -126.28 141.94 51.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.026 0.441 . . . . 0.0 111.151 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.53 126.2 54.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.856 174.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.79 52.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.946 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.11 128.79 6.53 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.708 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -96.93 125.8 41.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.67 0.272 . . . . 0.0 110.542 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.81 109.21 14.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 p -85.17 -27.36 26.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.188 0.518 . . . . 0.0 110.715 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 32.7 ttmt -145.16 135.12 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.749 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.3 t -139.54 113.43 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.449 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 77' ' ' LYS . 5.5 p -126.83 126.97 69.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 172.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 30.1 tt0 -67.01 130.97 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.975 -168.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.511 ' ND2' ' HG2' ' A' ' 75' ' ' GLU . 59.9 m-80 64.86 20.52 12.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.662 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.478 ' HB2' HG12 ' A' ' 74' ' ' VAL . 60.2 mttm -130.64 -70.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.48 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -157.21 147.88 21.37 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.108 -176.301 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.24 111.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.686 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 2.0 mp0 -101.72 122.81 44.61 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -142.55 159.03 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 111.18 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.5 148.84 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.06 117.02 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.2 -114.15 5.6 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -173.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -108.38 -10.42 15.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.51 165.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.323 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 13.6 t -143.69 149.72 37.62 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.15 130.52 25.31 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.409 ' CB ' ' HG3' ' A' ' 80' ' ' GLU . 9.7 ptmm? -113.83 127.54 56.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 0.0 109.804 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.68 107.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.125 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 47.0 mt-10 -110.06 137.33 47.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.023 0.44 . . . . 0.0 111.176 -176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 104.14 16.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 77.4 mt -90.84 105.23 17.68 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.986 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.71 103.94 7.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -108.76 165.76 12.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.445 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.535 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 30.7 Cg_endo -64.69 -16.2 54.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.219 1.946 . . . . 0.0 112.382 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -92.84 -14.09 28.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 143.66 -156.15 26.47 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.2 t -109.41 112.28 39.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.011 0.434 . . . . 0.0 110.572 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 30.5 m -83.46 107.86 16.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.51 105.51 11.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.35 113.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.438 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -105.31 109.66 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -121.09 151.45 39.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.132 0.492 . . . . 0.0 110.99 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.53 115.64 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.127 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.3 147.63 22.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.367 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -80.7 136.41 36.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 p -78.46 -24.79 45.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.073 0.463 . . . . 0.0 110.933 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.72 -20.91 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.004 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.18 156.83 35.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.105 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.38 106.96 0.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.703 2.269 . . . . 0.0 112.209 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.491 HG13 HD12 ' A' ' 3' ' ' ILE . 84.4 t -61.78 -38.63 80.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 12.8 tp10 -57.69 -53.86 53.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.59 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -64.47 -34.96 79.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.479 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.64 -46.72 86.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.82 -52.45 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 76.6 mm-40 -62.6 -33.1 74.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.26 -55.31 30.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.457 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 55.2 m95 -64.15 -39.77 94.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.561 0.22 . . . . 0.0 110.985 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.84 -43.04 99.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.607 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.55 93.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 119' ' ' GLY . 79.0 mt -64.82 -42.81 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 177.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 65.3 mt -62.56 -35.81 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.636 0.255 . . . . 0.0 111.557 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -63.71 -50.33 69.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.755 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -65.98 -39.14 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.498 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.516 ' O ' HG21 ' A' ' 131' ' ' VAL . 58.0 t80 -58.75 -52.03 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.395 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.616 ' HE2' ' O ' ' A' ' 8' ' ' THR . 43.5 tttm -52.64 -56.7 13.54 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.5 mtm-85 -63.34 -28.96 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.291 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.3 -37.18 74.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 127' ' ' PHE . 56.3 t -71.59 -38.76 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 42.0 mm-40 -57.42 -43.3 83.68 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t -73.88 -23.67 59.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.06 -26.47 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.523 HD13 ' HB1' ' A' ' 11' ' ' ALA . 39.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.957 170.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG2' HG22 ' A' ' 109' ' ' THR . 15.1 tpt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.032 0.444 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -142.73 144.01 32.49 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.5 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 67.7 mt -105.04 136.13 40.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 m -108.92 110.89 22.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.224 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 m -118.04 137.52 51.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.4 pt-20 -140.66 157.98 44.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.049 0.452 . . . . 0.0 111.413 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -143.31 135.98 27.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.416 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -97.19 105.01 17.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.857 0.36 . . . . 0.0 110.631 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 t -95.66 140.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.83 12.42 13.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.041 0.448 . . . . 0.0 111.261 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 135' ' ' LEU . . . -97.93 158.13 33.4 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.585 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 17.3 Cg_exo -65.31 153.76 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.446 2.098 . . . . 0.0 110.9 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.52 -23.25 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.317 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA2' HD22 ' A' ' 76' ' ' ASN . . . -67.11 -43.24 90.76 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.428 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -73.87 -39.56 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.588 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.81 -41.16 87.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 52.7 t-105 -59.25 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.046 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -59.3 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.795 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.26 73.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.938 0.399 . . . . 0.0 111.289 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -81.04 -17.68 49.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 ' HB ' HD22 ' A' ' 45' ' ' LEU . 32.6 p -113.2 3.11 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -176.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.577 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 m -101.48 99.29 10.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.506 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HA ' HD11 ' A' ' 26' ' ' ILE . 11.8 Cg_endo -56.2 -36.88 97.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.904 2.403 . . . . 0.0 113.154 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.71 -34.51 75.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.41 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 26.1 t70 -85.58 -33.9 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.21 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 22' ' ' THR . 75.6 mt -53.51 -36.7 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.863 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.49 -13.64 2.47 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -101.15 -15.26 17.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 60.7 p-90 -131.37 2.97 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.245 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.483 ' HB2' HG23 ' A' ' 26' ' ' ILE . 3.5 t-20 -78.92 11.97 2.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.547 0.689 . . . . 0.0 110.453 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.99 110.22 22.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.07 -7.86 59.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.632 0.73 . . . . 0.0 109.485 173.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -150.42 144.62 25.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.23 -30.15 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.693 0.282 . . . . 0.0 111.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -74.12 -7.81 53.93 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -104.67 140.16 38.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.003 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -149.01 144.25 26.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.895 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 p -83.25 -41.56 18.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.098 0.475 . . . . 0.0 111.249 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.14 141.76 40.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.784 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.21 105.83 3.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -98.11 112.74 24.59 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 23' ' ' PRO . 73.0 t -115.17 110.17 31.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.24 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -95.7 91.21 5.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.449 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.8 tp -78.32 93.85 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.42 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 46' ' ' ARG . 7.0 ptt180 -164.02 153.6 14.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.69 104.38 4.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.166 0.508 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.83 -5.15 18.68 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.17 -164.98 40.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.104 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.05 157.49 39.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.929 0.395 . . . . 0.0 111.303 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -127.61 146.56 50.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.267 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 t -139.44 121.48 15.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -126.85 133.7 50.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.661 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 38' ' ' THR . 19.5 mmm180 -91.46 94.39 9.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.827 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.4 mtp -90.77 113.43 25.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.35 167.13 20.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.203 -174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.81 149.27 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.4 mttm . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.979 179.467 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -141.71 162.3 35.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.22 102.87 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.979 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -88.2 105.94 17.86 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.3 39.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.204 -174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.09 155.26 24.23 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -101.96 124.2 47.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.917 0.358 . . . . 0.0 110.74 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.25 108.97 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -92.18 -38.75 11.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.852 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 6.2 tmtm? -142.91 124.27 14.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 66.8 t -133.0 115.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 111.191 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 77' ' ' LYS . 2.0 p -131.2 122.94 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.056 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tt0 -60.89 134.45 57.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.96 -172.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.408 HD22 ' HA2' ' A' ' 14' ' ' GLY . 14.0 m120 64.95 14.21 9.15 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.935 175.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HB3' HG12 ' A' ' 74' ' ' VAL . 2.1 tmtt? -126.13 -72.0 0.67 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.262 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.781 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 12.0 ptt180 -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 111.804 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.91 109.47 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.353 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.559 ' HG2' ' CB ' ' A' ' 89' ' ' LYS . 41.7 mt-10 -110.07 124.75 52.04 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -139.97 142.74 36.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 0.0 111.379 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -100.82 119.78 39.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.127 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -112.23 107.31 16.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.472 0.654 . . . . 0.0 109.987 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -112.87 4.24 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.914 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.53 -2.58 23.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.02 0.438 . . . . 0.0 110.612 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 -115.85 169.08 9.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.4 t -136.15 151.47 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.574 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.25 133.58 33.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.077 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.559 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 21.0 ptmt -119.32 129.0 54.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.272 0.558 . . . . 0.0 110.58 178.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.429 HG21 HG23 ' A' ' 103' ' ' VAL . 41.3 t -110.59 111.07 34.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.834 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.781 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 7.3 mt-10 -107.19 136.57 46.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.07 103.25 15.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.017 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.567 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.9 mt -85.88 106.86 17.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.048 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.16 106.76 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.48 162.9 18.25 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.865 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -59.26 -36.17 95.53 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.275 1.983 . . . . 0.0 111.971 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.41 -15.75 39.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.017 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.52 -130.28 2.29 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.605 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.97 120.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 19.3 m -88.41 103.61 16.01 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 46.4 t -82.08 105.55 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.813 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -106.56 119.07 38.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.97 0.414 . . . . 0.0 110.968 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.429 HG23 HG21 ' A' ' 90' ' ' VAL . 48.4 t -106.76 115.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.923 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -112.48 112.24 23.66 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.5 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 39.1 p90 -126.0 144.27 50.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.9 t -71.63 126.31 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.584 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -124.59 147.75 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -172.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.3 122.34 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.62 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.537 HG22 ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -75.12 -3.8 34.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.309 0.576 . . . . 0.0 110.681 174.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.59 -15.58 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.978 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 78.1 m-85 -119.41 159.78 44.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.205 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 14.7 Cg_endo -56.39 104.46 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.569 2.179 . . . . 0.0 112.538 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.462 HG12 HD12 ' A' ' 3' ' ' ILE . 62.3 t -59.89 -38.41 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.59 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.47 -43.9 80.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.329 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.37 -37.36 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.994 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.5 mt-30 -67.07 -45.86 76.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 0.0 109.688 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -55.45 -54.13 47.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.281 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.47 -32.16 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.124 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.33 -52.52 43.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.404 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -69.32 -33.68 73.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.274 . . . . 0.0 110.916 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.9 -39.26 93.26 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.64 97.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.69 -47.76 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.5 -29.91 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.07 0.462 . . . . 0.0 111.081 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 8.8 t-20 -67.15 -49.26 65.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.3 -35.55 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.128 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 131' ' ' VAL . 65.9 t80 -55.24 -49.49 71.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.304 175.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 63.2 tttp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.574 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 11.0 mmt180 -55.19 -40.78 71.14 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.501 0.667 . . . . 0.0 110.416 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.41 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 30.9 t60 -73.75 -30.62 62.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.154 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 127' ' ' PHE . 47.2 t -81.35 -37.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.791 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 80.4 mm-40 -59.56 -36.7 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 176.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.3 p -79.4 2.58 21.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.409 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -99.59 -3.79 32.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.0 109.707 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 11' ' ' ALA . 84.4 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -119.8 123.02 42.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.694 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -104.52 126.28 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -112.32 115.89 29.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.581 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.421 ' HB ' ' OE1' ' A' ' 121' ' ' GLN . 17.2 m -114.34 141.46 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.76 176.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 10.1 pt-20 -145.08 148.44 33.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.572 . . . . 0.0 111.913 -175.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.487 ' OG1' ' HD3' ' A' ' 128' ' ' LYS . 15.4 t -140.63 136.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.865 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 49.3 m -100.75 112.39 24.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.029 0.442 . . . . 0.0 110.837 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -96.49 143.81 11.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.47 7.37 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 111.61 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.38 146.08 32.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.612 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.85 150.65 87.67 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.819 2.346 . . . . 0.0 112.447 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.27 -28.34 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.692 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.58 -36.53 93.34 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.591 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -82.81 -39.69 21.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.562 -0.376 . . . . 0.0 110.274 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.82 -39.3 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.47 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 56.0 t-105 -52.69 -50.35 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.502 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -79.57 -32.2 42.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.232 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.72 71.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.084 0.469 . . . . 0.0 110.902 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.32 -17.56 39.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.813 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.1 p -109.8 -3.07 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.553 ' O ' HG13 ' A' ' 26' ' ' ILE . 74.3 m -95.62 108.88 42.73 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.7 Cg_exo -52.02 -42.18 60.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.54 2.827 . . . . 0.0 113.423 -173.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.77 -35.07 78.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.645 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -33.84 24.25 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -52.99 -43.51 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.96 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 92.2 mttt -58.52 -18.79 32.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.691 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -98.92 -7.7 26.73 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.55 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 39.4 p-90 -127.15 -18.87 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.086 176.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -78.09 94.8 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.239 0.543 . . . . 0.0 110.613 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.86 120.35 2.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.364 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.17 -13.68 56.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.269 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' HD1' ' A' ' 36' ' ' TRP . 35.5 t -163.93 169.15 18.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -72.07 -8.58 55.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.501 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.03 -30.77 20.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.62 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.413 ' HD1' ' HB3' ' A' ' 33' ' ' SER . 80.5 m95 -93.75 140.07 30.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.857 0.36 . . . . 0.0 110.706 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.579 ' CE1' HG21 ' A' ' 39' ' ' THR . 4.3 p80 -147.44 148.1 30.91 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.328 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 9.8 m -81.49 108.48 15.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.579 HG21 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.32 -28.5 31.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.363 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.8 21.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.065 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.71 120.72 7.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.937 0.399 . . . . 0.0 110.984 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.9 m -128.74 113.23 15.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.516 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.1 t -115.7 129.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -175.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.67 102.38 10.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -85.75 94.63 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.585 -171.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -168.58 159.11 9.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.967 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 43.0 mt-10 -74.55 106.54 6.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.986 0.422 . . . . 0.0 109.967 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.97 -7.51 21.62 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -173.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.24 -170.68 41.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.823 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.28 164.97 37.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.856 0.36 . . . . 0.0 111.022 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.516 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.8 p90 -127.57 142.68 51.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.937 176.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 p -115.3 111.01 20.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.999 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 66' ' ' PHE . 19.5 t -112.35 113.42 25.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.111 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -85.48 96.46 9.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.2 mmm -97.6 114.02 25.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.36 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 46.9 mt-10 -133.23 163.62 28.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.266 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.77 157.98 15.65 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.031 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -177.136 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -150.57 166.49 30.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 111.311 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.35 106.31 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.823 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 53' ' ' SER . 54.5 t80 -90.08 105.23 17.67 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.74 134.48 52.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.74 136.33 8.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.787 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 m -96.37 124.94 40.54 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -75.13 109.72 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.253 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -85.46 -40.34 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.138 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 9.1 tmtm? -152.62 129.76 11.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.188 0.518 . . . . 0.0 109.641 176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 46.3 t -129.52 141.05 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.426 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 77' ' ' LYS . 2.2 p -142.59 124.08 12.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.229 0.537 . . . . 0.0 110.365 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.4 tt0 -57.72 129.49 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.515 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.5 23.65 13.74 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.687 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HB3' HG12 ' A' ' 74' ' ' VAL . 83.1 tttt -134.54 -69.07 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.76 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -158.49 150.99 21.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.373 0.606 . . . . 0.0 111.706 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -121.77 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.341 175.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' A' ' 89' ' ' LYS . 35.0 tt0 -112.42 123.63 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.22 142.87 48.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.73 134.47 52.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -128.21 99.01 5.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.665 0.745 . . . . 0.0 109.812 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.11 -120.94 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.697 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.45 1.68 49.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.326 . . . . 0.0 111.223 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG13 ' A' ' 106' ' ' VAL . 11.8 mtm180 -122.1 150.07 42.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.718 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.421 ' H ' HG11 ' A' ' 106' ' ' VAL . 11.3 t -133.72 150.63 51.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.73 134.25 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.556 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -113.39 113.12 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 178.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.93 109.77 22.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.881 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.82 150.06 26.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -114.28 104.37 12.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.7 mt -105.39 108.48 20.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.638 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.519 ' HG2' HG23 ' A' ' 99' ' ' VAL . 35.8 mt-10 -70.94 114.57 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.447 0.642 . . . . 0.0 111.191 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.8 159.32 29.99 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.14 174.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 10.8 Cg_endo -55.39 -28.23 62.33 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.664 2.243 . . . . 0.0 113.188 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 8' ' ' THR . 4.1 pt20 -93.17 -10.47 35.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.77 179.26 29.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.665 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 94' ' ' GLU . 57.8 t -90.2 117.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.022 0.439 . . . . 0.0 110.708 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.9 m -88.88 108.79 19.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.438 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.21 114.08 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.567 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 10.8 ttp180 -114.63 118.36 33.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.759 -173.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.3 t -103.32 107.19 21.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.7 t -101.64 107.75 19.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -124.0 148.36 47.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.443 HG13 ' HG2' ' A' ' 86' ' ' ARG . 7.6 p -78.34 119.34 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.484 0.659 . . . . 0.0 109.254 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.77 147.43 26.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.032 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -89.31 136.17 33.17 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -14.01 49.81 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.428 ' HB2' ' OE1' ' A' ' 108' ' ' GLU . 34.0 mm-40 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.206 0.527 . . . . 0.0 109.632 172.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 48.3 m-85 -82.52 139.44 44.36 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.07 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 25.3 Cg_exo -62.73 138.2 67.96 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.42 2.08 . . . . 0.0 111.808 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.07 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.05 0.452 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -54.45 -53.78 49.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.664 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.79 -43.46 85.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.5 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.17 -49.26 37.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.518 -176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -65.59 -57.9 7.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.958 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.32 -28.36 67.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.551 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.23 -55.26 24.74 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.01 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -67.59 -35.66 79.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 47.9 tp60 -65.63 -38.51 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.515 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.94 93.7 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.889 0.376 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.67 -44.69 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.971 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.64 -29.51 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.64 -52.97 47.65 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.244 0.545 . . . . 0.0 109.951 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.59 -42.59 97.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.833 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.448 ' O ' HG21 ' A' ' 131' ' ' VAL . 84.5 t80 -57.52 -55.07 39.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.764 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 129' ' ' ARG . 59.5 pttt -57.01 -48.84 77.51 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.273 -174.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.51 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 15.3 ptt180 -75.25 -23.72 57.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.748 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 59.8 t60 -69.78 -41.02 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.702 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 127' ' ' PHE . 60.6 t -68.24 -42.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.386 . . . . 0.0 110.485 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -64.2 -42.91 96.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.8 p -75.25 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.933 0.397 . . . . 0.0 110.665 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 2.4 t60 -84.75 -1.84 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.73 0.776 . . . . 0.0 109.002 171.639 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.538 ' HB2' HG22 ' A' ' 109' ' ' THR . 12.8 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.983 0.42 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -89.7 113.22 24.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.827 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.22 122.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -110.32 114.57 28.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.89 137.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 1.4 pp20? -143.71 147.84 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.149 0.5 . . . . 0.0 111.942 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 t -151.24 151.42 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.365 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 13.8 m -99.06 137.42 37.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 111.535 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -109.53 140.92 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.46 11.96 6.24 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.44 150.54 41.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.696 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.53 161.75 26.83 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 122.922 2.415 . . . . 0.0 112.221 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' HG22 ' A' ' 99' ' ' VAL . 10.7 p -61.48 -30.62 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.714 -173.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -33.84 85.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -81.21 -42.0 21.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.14 -48.61 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.081 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 51.5 t-105 -58.06 -50.33 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.285 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -70.56 -35.19 72.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.652 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.24 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 110.699 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -83.41 -16.24 46.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.968 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -113.17 3.28 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.529 ' O ' HG13 ' A' ' 26' ' ' ILE . 92.9 m -101.18 108.76 56.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.704 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.2 -47.58 19.21 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.567 2.844 . . . . 0.0 113.457 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 9.1 tp10 -54.88 -48.81 72.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.556 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 17.4 t70 -72.66 -38.06 67.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.784 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 22' ' ' THR . 84.3 mt -54.04 -41.71 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.397 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.713 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 10.0 mtmp? -64.67 -8.18 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.889 -176.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -97.53 -23.79 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.718 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 52.4 p-90 -119.47 -16.97 8.85 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -76.96 88.96 3.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.339 0.59 . . . . 0.0 110.934 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.9 116.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.915 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.42 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.308 0.575 . . . . 0.0 110.402 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -134.82 171.09 14.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.69 4.57 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.61 -26.69 41.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.065 0.46 . . . . 0.0 109.958 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.8 m95 -109.49 163.76 13.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.424 -172.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.436 ' HE1' HG21 ' A' ' 39' ' ' THR . 3.3 p80 -157.44 153.72 27.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.154 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.594 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 28.3 m -89.27 112.89 24.06 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' HE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.49 -35.57 27.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.987 -173.487 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.48 139.13 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.985 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -140.18 122.3 15.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.4 m -123.73 120.81 33.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.4 t -128.7 107.94 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.26 89.45 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.39 91.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.097 0.475 . . . . 0.0 110.605 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 8.8 ptm180 -172.37 153.93 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.042 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.12 120.68 11.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.01 1.3 67.44 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.766 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.431 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -99.35 160.71 19.83 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.63 161.43 27.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.366 0.583 . . . . 0.0 111.369 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -118.34 142.37 47.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.189 173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -126.93 102.82 7.17 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.7 t -104.33 106.18 16.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 7.8 tpt180 -82.03 93.47 6.99 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.1 mtp -100.77 113.1 25.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.127 0.489 . . . . 0.0 109.964 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 54.1 mt-10 -128.14 161.52 29.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.91 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -80.41 153.59 28.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.9 mttm . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.953 177.866 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -162.27 148.76 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.2 p-10 -93.96 113.75 25.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.687 0.756 . . . . 0.0 110.589 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -89.77 117.61 28.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.202 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.03 143.26 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.38 157.01 27.03 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 m -111.83 131.79 55.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.181 0.491 . . . . 0.0 111.069 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -77.59 114.32 16.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.3 p -92.65 -39.31 11.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 10.0 ttmm -132.61 130.7 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.277 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.17 107.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.977 0.417 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 77' ' ' LYS . 4.4 p -115.96 105.75 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.581 0.705 . . . . 0.0 109.311 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.586 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.3 tt0 -57.61 140.31 51.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.109 -172.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 67.46 12.05 8.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.05 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HB2' HG12 ' A' ' 74' ' ' VAL . 68.0 mttm -128.35 -75.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.278 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.533 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 20.8 ptt180 -157.77 152.56 25.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 112.41 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.0 mt -117.05 127.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.191 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 34.4 tt0 -118.81 119.77 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 38.9 p90 -134.2 155.03 50.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.004 0.431 . . . . 0.0 110.851 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.92 137.54 54.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.913 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.67 107.18 9.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.465 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.31 -130.28 29.24 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.15 1.45 56.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.904 0.383 . . . . 0.0 110.997 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -103.98 166.2 10.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -147.11 151.46 36.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -140.26 125.0 18.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -113.59 117.4 31.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.273 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.421 HG13 HG23 ' A' ' 103' ' ' VAL . 48.7 t -101.87 111.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.352 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 78' ' ' ARG . 28.3 mt-10 -106.45 134.66 49.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.63 102.66 12.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 82.9 mt -87.37 107.84 18.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.947 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 105.6 4.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -107.02 162.72 18.76 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.257 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.5 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 19.6 Cg_endo -59.82 -26.01 81.01 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.472 2.114 . . . . 0.0 112.961 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -91.89 -17.96 24.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.691 0.281 . . . . 0.0 111.532 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.27 -160.84 30.44 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 13' ' ' VAL . 58.7 t -108.14 123.71 63.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 117.366 0.583 . . . . 0.0 110.92 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.474 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 24.2 m -93.69 116.21 28.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.224 178.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.9 t -87.32 106.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.12 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.478 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 60.4 ttt-85 -105.65 111.74 24.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.166 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 HG13 ' A' ' 90' ' ' VAL . 46.0 t -107.16 113.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.813 0.34 . . . . 0.0 110.951 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.2 m -108.0 107.11 17.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.516 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -125.23 149.27 48.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.052 0.453 . . . . 0.0 111.429 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -86.58 114.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.306 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -119.38 149.37 41.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.371 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.3 151.05 41.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.984 0.421 . . . . 0.0 110.771 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.74 -9.58 55.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.97 -37.86 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.673 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -78.33 148.16 73.62 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.09 102.3 0.08 OUTLIER 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.639 2.226 . . . . 0.0 112.478 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.6 t -55.64 -36.49 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -54.79 -52.12 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.879 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.0 -30.59 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.193 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.6 -50.77 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.349 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.97 -41.92 88.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.67 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.6 36.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.104 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -66.37 -37.08 84.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.711 0.291 . . . . 0.0 111.055 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.72 -34.25 77.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.78 97.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.91 -41.28 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.48 -43.46 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -68.16 -38.74 82.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.815 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -62.39 -46.01 90.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.476 ' O ' HG21 ' A' ' 131' ' ' VAL . 66.8 t80 -60.83 -46.64 89.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.85 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 61.1 tttp -54.08 -58.51 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.122 0.264 . . . . 0.0 110.79 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.96 -34.2 69.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.029 0.443 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.556 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 45.0 t60 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.783 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.637 ' HA ' ' HB2' ' A' ' 134' ' ' HIS . 48.4 t -80.64 -35.08 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 47.5 mm-40 -58.61 -33.54 70.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.252 0.549 . . . . 0.0 109.83 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 m -91.35 -7.78 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 131' ' ' VAL . 0.3 OUTLIER -85.66 -13.67 47.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.967 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.798 176.254 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -127.28 124.77 39.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.452 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 63.1 mt -102.46 143.68 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 m -125.47 112.01 15.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.219 0.533 . . . . 0.0 110.823 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.36 159.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.973 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -155.38 160.13 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.213 0.53 . . . . 0.0 111.882 -178.084 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 12.5 t -156.66 123.25 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.068 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 32.8 m -90.12 104.67 17.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.1 0.476 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 t -84.35 138.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.9 11.9 6.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 111.591 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.61 152.73 40.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.114 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.28 149.84 83.4 Favored 'Trans proline' 0 C--O 1.239 0.545 0 C-N-CA 122.699 2.266 . . . . 0.0 112.042 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.09 -27.2 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.405 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.26 83.97 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -85.11 -39.41 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.693 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.45 -43.79 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 58.4 t-105 -60.36 -47.67 85.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.062 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -73.29 -36.18 66.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.116 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.69 81.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.834 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -81.01 -10.92 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -118.36 3.87 11.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 26' ' ' ILE . 85.2 m -104.22 103.39 38.32 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.9 Cg_endo -51.48 -41.3 60.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.672 2.915 . . . . 0.0 113.605 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.88 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.569 0.224 . . . . 0.0 111.378 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.05 -39.69 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 83.7 mt -52.64 -43.71 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -56.21 -18.19 9.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.297 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -90.74 -28.12 18.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 53.0 p-90 -116.56 -12.31 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -78.39 90.38 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.254 0.55 . . . . 0.0 110.818 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.734 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.62 -36.66 12.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.8 m -118.56 143.68 46.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.52 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.19 -18.5 61.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.45 -8.99 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.59 ' CE3' ' HG3' ' A' ' 55' ' ' MET . 71.5 m95 -111.07 165.29 12.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.935 0.398 . . . . 0.0 110.361 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 39' ' ' THR . 2.0 p80 -163.13 148.24 11.51 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -80.07 114.8 19.25 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.429 HG21 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.75 -41.89 17.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.49 . . . . 0.0 110.796 -177.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.41 119.5 14.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.677 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.28 103.74 10.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.386 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -108.82 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.59 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.62 115.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.762 -175.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -110.02 103.19 11.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.041 0.448 . . . . 0.0 109.933 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.0 tp -76.86 102.78 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.54 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -172.98 151.56 2.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.469 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.92 106.7 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.04 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.41 -8.34 26.52 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.84 176.07 52.02 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.23 164.89 28.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 117.246 0.523 . . . . 0.0 111.031 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -127.78 152.23 48.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.502 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -140.69 104.09 4.65 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.634 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -106.94 110.57 22.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.767 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' NE ' ' HB2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.8 94.37 7.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.59 ' HG3' ' CE3' ' A' ' 36' ' ' TRP . 54.9 tpp -84.76 113.6 21.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 33.4 tt0 -130.15 152.38 49.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -174.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.66 50.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.4 mttp . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.94 147.54 29.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.773 0.32 . . . . 0.0 110.331 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.14 110.26 19.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.845 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -85.95 107.1 17.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.42 147.45 42.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.429 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 162.04 34.64 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.9 m -110.41 133.88 52.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.124 0.462 . . . . 0.0 110.96 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 92.9 m-85 -75.21 104.85 5.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -83.88 -37.02 22.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.363 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -143.57 120.75 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.424 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 72.2 t -130.15 105.93 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.38 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -115.33 118.39 58.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.4 tt0 -64.77 135.09 55.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.865 -169.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 68.53 15.48 9.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.412 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.539 ' HB2' HG11 ' A' ' 74' ' ' VAL . 75.7 mmtt -125.77 -70.2 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -157.81 152.37 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 111.073 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.9 mt -118.77 108.41 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.506 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 40.9 mt-10 -105.26 110.83 23.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.781 0.324 . . . . 0.0 110.405 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 28.2 p90 -121.33 137.75 54.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.161 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -124.87 140.65 52.73 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.844 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -123.67 96.1 4.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.19 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.08 -115.7 4.38 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.041 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.58 -12.51 22.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.794 0.806 . . . . 0.0 109.765 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -105.09 125.82 51.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.681 -172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.7 t -124.04 149.6 45.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -124.19 121.02 33.95 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 33.8 ttpt -112.85 116.45 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.19 0.519 . . . . 0.0 110.948 -174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.23 110.14 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.03 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HG3' ' HG2' ' A' ' 89' ' ' LYS . 29.7 mt-10 -106.73 133.58 51.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.974 0.416 . . . . 0.0 110.205 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -101.0 110.79 22.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.253 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.526 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.6 mt -96.7 104.22 16.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.184 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.27 107.35 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.94 162.73 18.8 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.073 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.22 -27.89 72.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.163 1.909 . . . . 0.0 112.742 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -107.11 19.11 20.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.847 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.13 -153.6 23.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.62 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.35 112.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.673 0.273 . . . . 0.0 110.432 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 48.7 m -84.67 102.98 13.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.088 0.47 . . . . 0.0 110.12 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.7 t -82.68 106.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.884 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -106.19 119.59 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.052 0.454 . . . . 0.0 110.313 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -104.02 119.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -107.87 108.17 19.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 46.2 p90 -127.51 147.79 50.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.019 0.438 . . . . 0.0 110.978 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.65 137.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.877 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.449 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -134.22 147.29 50.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.269 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.64 146.61 24.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.1 p -81.43 -10.79 59.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.45 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -66.46 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.746 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.94 152.96 38.69 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.912 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 50.7 Cg_exo -55.76 107.56 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.731 2.287 . . . . 0.0 112.536 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.2 t -54.63 -40.44 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.649 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.8 -50.2 71.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.625 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.3 -21.7 63.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.086 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 47.7 mt-30 -76.6 -48.9 17.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.53 -53.01 63.05 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.786 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.127 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.85 -53.35 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.525 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -68.65 -36.72 78.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.712 0.291 . . . . 0.0 110.868 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.31 -39.61 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.119 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.05 91.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.67 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.116 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 72.0 mt -68.53 -31.98 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.31 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.7 -45.09 79.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 63.4 t30 -70.62 -34.08 71.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.877 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.469 ' O ' HG22 ' A' ' 131' ' ' VAL . 87.6 t80 -59.34 -51.76 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.162 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -54.03 -54.33 40.73 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.51 -31.15 71.87 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.26 -39.45 28.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.238 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 96.5 t -67.55 -40.79 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.427 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -73.85 -18.74 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.032 0.444 . . . . 0.0 110.518 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -78.44 -13.38 59.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.999 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 2.4 m-70 -77.05 -19.5 57.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.042 0.449 . . . . 0.0 110.037 174.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.804 -177.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -82.34 104.59 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.38 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -91.23 119.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.566 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 m -108.62 110.4 21.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.14 0.495 . . . . 0.0 110.749 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.07 156.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.713 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -136.23 165.81 24.89 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 110.533 -179.167 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' A' ' 124' ' ' LEU . 1.2 m -158.7 115.08 2.71 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.485 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -86.08 111.4 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.064 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.408 HG11 ' H ' ' A' ' 11' ' ' ALA . 8.2 t -101.81 141.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 174.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.44 -14.65 58.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 0.0 111.419 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.408 ' H ' HG11 ' A' ' 9' ' ' VAL . . . -76.04 145.5 77.35 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.553 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.31 160.2 46.4 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 122.856 2.37 . . . . 0.0 112.223 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.14 -27.81 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.836 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.86 -33.77 74.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.563 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.663 ' HZ1' ' HA ' ' A' ' 135' ' ' LEU . 59.7 mttt -85.64 -44.57 12.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 0.0 110.411 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.67 -43.85 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.238 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 63.4 t-105 -59.49 -45.88 90.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -71.31 -41.86 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.39 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 22.3 t80 -79.19 -16.97 55.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.206 -176.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -112.26 -7.49 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 26' ' ' ILE . 41.7 m -96.08 111.75 57.32 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.429 -0.169 . . . . 0.0 110.943 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 17.7 Cg_endo -56.56 -36.31 97.76 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.143 2.562 . . . . 0.0 112.885 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.55 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.972 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.74 -34.72 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.072 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 22' ' ' THR . 71.2 mt -54.9 -39.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.55 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 59.3 mtmt -61.25 -10.49 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -98.64 -35.09 10.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.508 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 53.5 p-90 -105.44 -10.77 16.74 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.27 -3.01 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.325 0.584 . . . . 0.0 110.716 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.32 117.0 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.19 68.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.056 0.455 . . . . 0.0 111.106 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -153.81 164.84 37.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.79 -33.81 68.95 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -76.93 -6.92 54.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -116.95 148.72 41.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -148.04 154.16 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 0.0 111.399 -179.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.488 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 11.5 m -90.3 108.67 19.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -29.06 31.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -172.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.43 21.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.046 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.21 18.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.875 0.369 . . . . 0.0 110.959 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.8 m -135.17 118.84 17.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.489 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.45 132.65 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -122.02 102.08 7.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -84.29 97.69 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.861 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -172.75 159.43 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.539 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.551 ' HG2' ' HD3' ' A' ' 72' ' ' LYS . 2.2 mp0 -68.2 104.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.0 -4.13 25.61 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.691 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.65 148.6 19.05 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -113.33 161.8 16.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.089 0.471 . . . . 0.0 111.169 -177.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -131.36 142.42 50.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.461 174.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -120.45 125.8 48.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 t -125.21 118.03 25.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 7.3 tpt180 -86.22 93.49 9.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.775 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 ttm -97.65 113.51 25.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 37' ' ' HIS . 46.1 mt-10 -135.17 165.6 25.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.19 144.73 26.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.402 -179.661 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.79 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -149.07 153.72 38.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.064 0.459 . . . . 0.0 110.963 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.07 100.57 13.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.624 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -92.54 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.525 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.68 147.58 49.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -155.17 150.51 22.02 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.82 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 45.9 m -112.06 130.32 55.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 110.893 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -71.14 121.3 18.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -85.63 -38.68 18.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 6.2 mmtt -154.31 128.84 9.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.367 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -126.78 111.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.79 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.0 p -110.72 121.91 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tt0 -66.38 132.47 48.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.097 -167.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 m120 67.26 18.5 10.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.835 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.543 ' HB2' HG13 ' A' ' 74' ' ' VAL . 25.5 mmtp -128.49 -73.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.625 0.25 . . . . 0.0 111.257 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -153.24 149.22 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.473 . . . . 0.0 111.012 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -116.54 115.4 48.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.562 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 44.0 mt-10 -111.48 117.7 33.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.892 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.92 150.38 49.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -114.56 116.91 29.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.371 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 20.3 p90 -101.47 109.13 20.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.204 0.526 . . . . 0.0 109.965 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -115.24 7.54 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.253 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -98.64 0.84 45.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.738 0.304 . . . . 0.0 111.032 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.5 ' HG2' HG11 ' A' ' 106' ' ' VAL . 7.8 mtm180 -118.12 179.28 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 12.4 t -153.28 156.63 38.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.953 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.16 139.27 41.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.172 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.489 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 19.6 ttmm -112.8 111.66 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.11 112.46 39.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.335 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 102' ' ' ARG . 38.7 mt-10 -106.87 136.53 46.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.393 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.77 102.91 13.08 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.34 103.84 13.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.225 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.528 ' HG2' HG21 ' A' ' 99' ' ' VAL . 46.3 mt-10 -66.55 119.52 11.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.404 0.621 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -106.41 164.99 13.77 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.645 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 19.0 Cg_endo -60.39 -17.83 49.7 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.264 1.976 . . . . 0.0 112.408 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.09 3.94 26.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.689 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.32 -132.63 4.55 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.538 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.528 HG21 ' HG2' ' A' ' 94' ' ' GLU . 97.9 t -132.28 127.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.918 0.39 . . . . 0.0 110.288 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.7 m -93.21 113.67 25.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.344 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.1 t -84.36 107.71 15.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 37.6 ttt180 -99.99 109.25 21.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.993 -176.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -109.66 107.46 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.907 0.384 . . . . 0.0 110.744 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 t -111.23 106.24 15.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -120.42 151.43 39.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.169 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.5 HG11 ' HG2' ' A' ' 86' ' ' ARG . 4.9 p -84.55 113.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.715 0.769 . . . . 0.0 110.235 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -107.49 147.81 30.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.868 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -75.97 143.01 41.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.958 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.5 1.54 41.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.255 0.55 . . . . 0.0 110.548 173.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -75.41 -23.66 57.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.688 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -110.34 149.42 40.15 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.985 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 130.12 33.97 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.459 2.106 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.45 -40.21 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.2 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.461 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 mp0 -55.39 -53.59 54.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.598 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.56 -45.3 93.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.682 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.85 -39.33 93.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.61 -51.39 62.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 -33.99 77.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.358 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.3 47.42 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.999 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -70.25 -33.85 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.57 -40.86 98.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.446 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.56 -42.42 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.584 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 36.9 mt -64.64 -35.42 80.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.5 -39.31 85.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.754 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 43.6 t30 -69.19 -42.62 75.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' ' 131' ' ' VAL . 92.5 t80 -55.39 -51.71 65.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.582 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.482 ' CE ' HG22 ' A' ' 7' ' ' THR . 39.4 ttmt -50.29 -53.11 30.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -67.37 -35.94 80.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.1 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -71.54 -33.08 68.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.475 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 127' ' ' PHE . 47.9 t -78.75 -33.1 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -27.06 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.294 0.569 . . . . 0.0 110.112 171.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.5 m -84.4 5.36 27.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -110.37 13.46 22.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.136 0.493 . . . . 0.0 110.082 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.663 ' HA ' ' HZ1' ' A' ' 15' ' ' LYS . 87.7 mt . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.232 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -115.15 137.22 52.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.199 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.407 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.1 mt -106.11 110.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.0 m -98.66 110.55 23.13 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.253 0.549 . . . . 0.0 110.536 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 120' ' ' TRP . 15.6 m -116.17 145.23 22.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.376 176.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 9.6 pt-20 -151.3 153.55 35.03 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.208 0.527 . . . . 0.0 111.48 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -144.84 141.17 28.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.257 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 18.0 m -101.52 111.99 24.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.693 0.283 . . . . 0.0 110.736 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.39 130.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.066 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -3.84 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . . . -84.09 152.33 61.73 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.51 162.2 35.0 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.426 2.084 . . . . 0.0 111.785 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.18 -24.22 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.352 -175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.35 -43.31 98.75 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.569 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 67.2 mttm -72.55 -44.45 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.162 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.01 -48.15 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.342 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -57.49 -44.52 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.98 0.419 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -73.74 -44.06 57.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.372 -173.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.19 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 111.674 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -86.37 -21.99 26.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.706 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -104.01 -25.22 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 26' ' ' ILE . 56.5 m -72.31 114.76 32.45 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.46 0.172 . . . . 0.0 110.838 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.511 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.2 Cg_exo -54.08 -35.67 82.42 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.176 2.584 . . . . 0.0 113.175 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.27 -37.13 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.5 -40.0 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 22' ' ' THR . 74.8 mt -53.2 -44.51 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.171 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.7 mtmt -65.77 -8.15 19.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.754 0.311 . . . . 0.0 111.829 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -94.66 -40.0 10.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.488 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 46.3 p-90 -106.88 -17.87 14.08 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -81.08 93.71 6.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.126 0.489 . . . . 0.0 110.912 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.87 122.73 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.762 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.26 60.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.23 0.538 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -153.61 163.1 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.616 ' O ' ' HE2' ' A' ' 58' ' ' LYS . 16.2 t70 -64.64 -30.57 71.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 0.0 110.437 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.28 -22.67 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.128 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -107.27 156.19 19.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.251 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.69 156.36 36.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.243 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.548 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 32.7 m -86.8 113.13 22.36 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -41.44 19.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.215 0.531 . . . . 0.0 110.873 -173.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.32 120.34 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.65 112.91 21.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.2 m -112.05 113.31 25.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.768 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.511 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 75.4 t -125.32 116.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.152 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -102.48 91.37 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 104.23 6.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.631 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 19.7 ptt-85 -169.28 160.84 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.606 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.31 113.02 11.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.59 -2.76 39.38 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.67 173.1 39.81 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.666 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.6 35.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.008 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -137.3 154.06 50.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.001 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -139.95 117.03 11.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -118.31 120.83 38.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.65 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 56' ' ' GLU . 18.1 mmm180 -83.55 98.09 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 45.9 ttm -96.57 111.93 23.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.503 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 38.5 mt-10 -135.8 164.29 28.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.963 0.411 . . . . 0.0 110.607 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.86 156.57 24.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.616 ' HE2' ' O ' ' A' ' 34' ' ' ASP . 65.2 mttm . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.838 0.351 . . . . 0.0 111.509 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.503 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -141.81 162.39 35.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.665 0.269 . . . . 0.0 110.332 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.7 113.26 26.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 110.218 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -90.19 107.13 18.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.97 136.8 55.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.98 172.34 31.99 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.842 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -116.52 131.1 57.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.531 0.205 . . . . 0.0 110.642 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -77.12 105.78 8.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -90.94 -13.07 34.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.818 0.342 . . . . 0.0 111.331 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.904 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -147.21 117.63 7.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 176.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.01 106.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.429 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 77' ' ' LYS . 2.5 p -128.92 118.66 47.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.484 0.659 . . . . 0.0 110.166 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.45 136.7 58.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.974 -172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.04 6.46 5.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.442 175.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HB3' HG12 ' A' ' 74' ' ' VAL . 57.2 tttp -120.69 -76.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.545 -177.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.474 HH21 ' HD3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -158.82 165.09 35.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.927 0.394 . . . . 0.0 111.878 -173.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -132.99 128.16 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.162 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.904 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.9 mt-10 -117.32 130.55 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.67 143.19 34.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.466 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.66 144.95 44.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.578 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -135.96 99.56 4.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 109.679 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.44 -113.52 5.38 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.145 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.1 -28.58 19.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.07 0.462 . . . . 0.0 110.785 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 8.3 mpt_? -98.19 151.63 20.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 -172.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.6 t -137.22 147.9 46.14 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.78 132.06 55.51 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.533 ' HE2' ' OE2' ' A' ' 80' ' ' GLU . 38.7 ttmt -112.8 111.03 21.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.057 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.5 HG11 HG23 ' A' ' 103' ' ' VAL . 44.8 t -110.21 111.69 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.095 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.91 134.77 54.35 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.33 104.1 16.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -104.17 106.6 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.356 -175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 42.3 tt0 -74.8 108.77 7.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.22 0.534 . . . . 0.0 110.827 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.91 166.94 10.21 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.75 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 34.9 Cg_endo -66.37 -8.75 21.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.29 1.993 . . . . 0.0 111.78 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.9 -4.44 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.968 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.94 16.34 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 61.9 t -79.26 115.97 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.181 0.515 . . . . 0.0 109.98 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.0 m -90.48 108.37 19.75 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.359 -178.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.8 t -82.6 105.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -105.07 116.48 32.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.322 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.5 HG23 HG11 ' A' ' 90' ' ' VAL . 48.3 t -112.91 110.13 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -112.38 112.83 24.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.407 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 44.5 p90 -122.0 150.43 42.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.7 122.41 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.841 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.402 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -134.4 147.24 50.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 -175.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.45 ' CD ' ' HE ' ' A' ' 86' ' ' ARG . 4.9 mp0 -78.84 146.32 33.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -91.17 -13.44 32.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 108' ' ' GLU . 1.6 pm0 -71.39 -29.57 65.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -82.79 141.34 44.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.576 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 34.3 Cg_exo -57.7 106.05 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.663 2.242 . . . . 0.0 112.867 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.21 -34.85 50.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.84 -47.23 67.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.575 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.32 -41.19 85.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 44.3 mt-30 -68.72 -50.52 50.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.732 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.1 -52.31 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.16 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -64.18 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.288 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.04 -52.79 38.25 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.014 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.459 ' HB3' HG22 ' A' ' 5' ' ' VAL . 55.5 m95 -68.29 -36.01 78.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.523 0.201 . . . . 0.0 111.308 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -41.18 98.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.41 96.35 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.551 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 119' ' ' GLY . 84.1 mt -60.13 -45.07 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.31 -42.32 88.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.328 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 80.5 m-20 -66.61 -40.31 88.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.488 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 66.7 t30 -64.38 -39.15 93.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 131' ' ' VAL . 64.0 t80 -59.59 -50.1 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.394 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -54.8 -49.07 71.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.293 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 64.2 mtp180 -67.38 -34.56 77.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.67 -36.4 74.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.796 0.331 . . . . 0.0 110.366 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 135' ' ' LEU . 47.0 t -81.93 -57.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.099 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.18 -17.65 64.39 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 p -56.94 -34.86 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.706 0.289 . . . . 0.0 111.767 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -141.76 -33.57 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 131' ' ' VAL . 81.8 mt . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 113.153 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.922 0.392 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.46 114.33 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.476 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 104' ' ' SER . 67.1 mt -94.18 136.36 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.1 m -118.11 111.48 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.0 111.118 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -115.61 137.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -150.08 154.87 38.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.935 0.398 . . . . 0.0 111.488 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 145.98 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.633 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.8 m -94.8 117.98 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -99.85 143.22 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.17 7.82 5.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.343 . . . . 0.0 111.762 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB2' HD12 ' A' ' 135' ' ' LEU . . . -91.82 148.64 37.51 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.732 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 12.7 Cg_exo -69.4 154.03 69.73 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.828 2.352 . . . . 0.0 111.48 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.56 -29.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.54 88.95 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.088 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.544 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -84.52 -41.25 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.675 0.274 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.11 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 45.9 t-105 -55.66 -49.32 73.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.87 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.38 -43.44 81.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.326 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.6 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 111.062 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -83.96 -14.45 50.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.015 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.535 ' HB ' HD22 ' A' ' 45' ' ' LEU . 22.8 p -120.65 0.37 10.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.8 m -102.38 107.7 54.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 122.225 -0.297 . . . . 0.0 110.583 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.12 -28.5 79.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.762 2.308 . . . . 0.0 113.012 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.85 -37.8 85.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.07 -34.38 15.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.09 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.528 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 71.0 mt -53.71 -42.41 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.795 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.4 -13.74 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.356 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 59.9 p-90 -131.42 -11.62 3.56 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.4 89.07 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.075 0.464 . . . . 0.0 110.643 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -173.54 135.67 0.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.665 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.47 0.13 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 0.0 110.396 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -145.02 147.12 32.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.215 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.9 -30.61 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.548 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.23 -23.47 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.733 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -100.05 144.25 29.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.158 0.504 . . . . 0.0 111.144 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -147.28 154.08 40.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.845 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -89.32 121.03 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.686 0.279 . . . . 0.0 110.468 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 p -84.0 -42.28 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 0.0 111.253 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.54 145.5 30.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.833 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -149.15 100.8 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -95.3 113.57 25.26 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.8 t -114.67 125.56 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.18 -176.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.24 100.9 9.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.535 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.7 tp -87.03 94.15 9.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.936 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -167.95 165.98 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.495 ' OE2' ' HG3' ' A' ' 72' ' ' LYS . 44.1 mt-10 -67.45 106.15 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.91 4.64 39.02 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.236 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.81 158.07 23.18 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.77 151.61 49.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.517 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.0 p90 -117.04 142.03 47.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 44.8 m -130.97 106.02 8.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.42 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.8 p -116.56 118.73 33.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.261 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 53.5 mtp180 -89.5 106.77 18.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.7 mtp -92.48 113.74 26.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.103 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 49.3 mt-10 -125.0 147.63 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.528 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.46 141.35 44.98 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.004 0.43 . . . . 0.0 110.185 -177.845 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.787 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.08 170.91 14.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.041 0.421 . . . . 0.0 110.768 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 12.5 p-10 -117.6 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.359 0.599 . . . . 0.0 110.166 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -93.34 124.04 37.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.52 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.99 124.13 41.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.37 138.71 10.37 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -109.05 125.91 52.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.881 0.341 . . . . 0.0 110.556 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -71.05 116.75 11.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.095 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -83.83 -33.94 24.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.142 0.496 . . . . 0.0 110.147 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 21.7 ttmm -155.46 145.99 22.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -135.22 115.81 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.317 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -117.81 109.39 27.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.663 0.744 . . . . 0.0 109.652 175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 43.1 tt0 -58.95 131.61 51.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.357 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 68.77 10.84 8.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.394 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.23 -68.09 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.917 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 90' ' ' VAL . 23.0 ptt180 -158.96 170.62 21.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.876 0.37 . . . . 0.0 111.252 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.1 mt -131.81 129.88 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.482 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.55 122.55 46.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.203 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -144.53 158.82 43.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 111.125 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -129.25 147.23 51.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -133.31 110.59 10.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.9 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.85 -104.13 1.57 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.695 -176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -122.0 -2.86 9.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.455 0.645 . . . . 0.0 110.107 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -103.61 137.19 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.647 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.3 t -117.35 152.19 35.45 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 120.777 0.322 . . . . 0.0 110.222 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.23 134.07 47.82 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 34.7 ttpt -112.79 111.97 23.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.872 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.3 t -102.65 115.21 44.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.099 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.402 ' OE1' ' HD3' ' A' ' 102' ' ' ARG . 32.0 mt-10 -105.93 134.09 49.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -101.06 102.94 14.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 102' ' ' ARG . 68.0 mt -94.93 100.56 12.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -72.88 106.24 4.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.53 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.56 165.38 13.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.97 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 14.3 Cg_endo -57.58 -31.42 91.67 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.694 2.263 . . . . 0.0 112.63 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.69 -43.79 18.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.024 0.44 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.22 -174.95 46.83 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -90.36 114.82 28.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.431 0.634 . . . . 0.0 110.481 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 65.6 m -86.19 113.49 22.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.234 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.36 114.2 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.532 ' HD2' HD12 ' A' ' 93' ' ' LEU . 30.1 ttt180 -111.63 123.77 50.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.761 -173.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.65 107.2 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.785 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 47.4 m -103.91 104.89 14.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -118.96 150.0 40.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.62 110.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.262 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.92 138.02 31.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.833 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -92.92 129.48 38.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.998 0.428 . . . . 0.0 110.376 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -70.9 -15.27 62.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.369 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.28 6.95 40.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -134.27 155.61 79.73 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HB2' ' HB3' ' A' ' 115' ' ' GLN . 71.7 Cg_exo -50.12 104.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.736 2.29 . . . . 0.0 112.361 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.39 -42.71 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.847 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 52.6 mm-40 -62.02 -44.96 95.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 21.2 tp60 -69.32 -33.48 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.946 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.42 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 47.8 mt-30 -61.6 -46.87 87.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' HB2' HD13 ' A' ' 3' ' ' ILE . 34.8 tt0 -59.57 -51.68 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.825 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 96.9 mt-30 -61.1 -37.5 82.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.276 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.05 -54.33 38.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.728 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.42 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 83.8 m95 -66.27 -34.6 78.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.618 0.247 . . . . 0.0 110.841 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.12 -37.64 86.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.317 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.85 96.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.486 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.21 -43.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.213 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.21 -36.49 82.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.581 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -69.69 -42.44 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.531 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.97 -41.34 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.464 ' O ' HG21 ' A' ' 131' ' ' VAL . 90.7 t80 -56.9 -53.09 61.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.728 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.37 -50.28 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.364 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -60.92 -40.02 91.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.935 0.398 . . . . 0.0 110.789 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -65.89 -49.75 66.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 85.5 t -61.95 -47.58 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.482 -175.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.08 -35.66 80.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.729 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.0 m -71.91 -19.41 61.93 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.435 0.636 . . . . 0.0 110.267 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -81.11 -22.2 39.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.454 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 131' ' ' VAL . 24.4 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.229 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -119.5 126.3 50.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.17 125.19 67.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.3 m -114.18 111.75 22.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.04 135.12 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.265 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 102' ' ' ARG . 12.1 pt-20 -136.92 161.53 35.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 145.64 30.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.812 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -102.38 119.84 39.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.879 0.371 . . . . 0.0 110.46 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 t -107.1 139.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 11.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.24 147.96 34.95 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.851 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -65.22 155.38 68.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.939 2.426 . . . . 0.0 112.165 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.58 -30.71 47.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.95 -173.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.29 -39.36 95.96 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.155 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.79 -38.1 29.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.734 0.302 . . . . 0.0 110.345 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.77 -45.32 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.535 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 65.4 t-105 -55.14 -46.67 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.55 -47.1 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.67 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.96 67.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.698 0.285 . . . . 0.0 111.347 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.95 -16.29 36.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.375 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 p -115.41 -16.82 11.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 26' ' ' ILE . 44.1 m -79.1 111.28 18.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.603 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 88.6 Cg_exo -49.61 -42.79 41.79 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.352 2.701 . . . . 0.0 113.158 -175.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 46.8 mt-10 -59.32 -46.35 88.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.141 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.05 -37.01 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 22' ' ' THR . 65.3 mt -53.95 -44.02 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.767 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 10.2 mtmp? -58.13 -18.39 24.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.88 -28.33 21.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.647 0.261 . . . . 0.0 111.284 -175.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.635 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 53.0 p-90 -117.51 -7.91 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.44 6.24 15.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.961 0.41 . . . . 0.0 111.427 -174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.73 124.6 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.4 7.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.454 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -124.27 171.29 9.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.035 -175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 0.58 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.422 0.629 . . . . 0.0 110.624 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.44 -23.02 20.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.293 0.568 . . . . 0.0 110.009 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.41 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.9 m95 -110.8 164.26 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.562 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -159.03 145.05 16.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.568 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -81.62 109.79 16.37 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -40.02 21.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.474 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.93 142.31 23.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.824 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -143.82 99.82 3.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.872 0.368 . . . . 0.0 110.701 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -99.89 114.27 27.38 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.822 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 51' ' ' PHE . 84.4 t -121.7 124.18 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -175.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -107.72 96.44 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.8 tp -76.5 99.11 4.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.401 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -167.84 142.34 3.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.348 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.48 112.55 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.09 1.42 38.8 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.882 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -155.26 29.82 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.18 34.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.157 0.479 . . . . 0.0 111.263 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.508 ' HB2' HG22 ' A' ' 43' ' ' VAL . 29.8 p90 -135.43 160.05 39.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.93 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -144.85 112.74 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.535 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -111.34 114.5 27.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.062 0.458 . . . . 0.0 110.307 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.7 97.33 9.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.4 mtt -93.26 114.82 27.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.482 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -122.35 147.73 45.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.746 0.307 . . . . 0.0 110.326 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -68.44 150.85 47.63 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 mttm . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.58 0.229 . . . . 0.0 111.555 -176.594 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.04 149.87 34.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -100.44 111.64 23.92 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.537 0.684 . . . . 0.0 109.808 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -78.29 106.07 9.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.2 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.6 127.56 55.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.66 138.48 9.48 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.056 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.3 m -92.34 124.88 36.72 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -71.26 103.86 2.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.428 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 p -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.673 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.776 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 26.3 mmtp -143.65 129.4 19.32 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.011 174.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.96 100.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.905 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.532 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 39.3 t -113.49 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.54 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 31.1 tt0 -58.94 128.34 36.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.226 -174.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.26 15.12 9.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.366 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HD3' HG13 ' A' ' 74' ' ' VAL . 57.9 tttp -129.79 -64.73 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.905 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 9.8 ptm85 -155.43 144.01 20.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.274 0.559 . . . . 0.0 111.897 -171.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.32 119.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.327 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.776 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 40.9 mt-10 -125.59 129.23 49.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.966 0.413 . . . . 0.0 110.216 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -144.3 154.9 43.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.651 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -114.26 140.55 48.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -137.09 111.06 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.223 0.535 . . . . 0.0 109.761 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.96 -112.9 5.04 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.761 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.82 -11.2 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.438 . . . . 0.0 110.43 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.596 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 41.5 mtm180 -108.22 158.03 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.047 -174.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.2 t -133.65 156.67 47.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.886 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.66 138.96 54.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.7 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 21.1 ttmm -117.73 110.43 17.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -103.92 115.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.066 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.24 134.48 54.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -94.56 106.09 18.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.9 mt -103.55 134.87 46.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -94.08 117.44 30.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.333 0.587 . . . . 0.0 112.241 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -106.78 154.9 39.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -63.47 -33.44 68.85 Favored 'Trans proline' 0 CA--C 1.521 -0.172 0 C-N-CA 122.202 1.935 . . . . 0.0 112.106 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -98.6 16.06 23.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.824 -176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 147.0 163.05 10.28 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.019 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.01 132.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.926 0.393 . . . . 0.0 110.163 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.7 m -105.06 119.93 40.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.62 106.77 17.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.629 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.446 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 22.2 ttt180 -99.77 111.99 24.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.77 107.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.347 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 t -106.06 104.94 14.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -118.11 149.59 40.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.143 0.497 . . . . 0.0 111.096 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.596 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 60.3 t -74.58 136.31 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.54 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -122.89 147.01 47.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.936 0.398 . . . . 0.0 110.982 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.98 134.63 34.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -171.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.53 -34.93 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 111.653 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.06 131.51 33.0 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.665 -171.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -44.69 118.74 1.97 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.778 2.985 . . . . 0.0 113.139 -176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.88 -30.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.448 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -51.43 -54.1 30.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.973 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.78 -40.58 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.225 -176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -66.74 -44.12 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.961 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.887 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.2 -35.16 80.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.099 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.86 42.77 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.074 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -66.72 -35.35 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.193 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -62.06 -43.95 97.72 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.216 -0.193 . . . . 0.0 110.972 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.309 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.44 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.78 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.35 -40.28 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.511 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 22.2 m-80 -66.62 -37.81 85.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 110.6 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.635 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 56.1 t30 -69.48 -36.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 131' ' ' VAL . 84.4 t80 -58.81 -48.05 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.002 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.29 -48.3 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.824 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 39.8 mmt180 -55.75 -49.1 74.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 0.0 110.305 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -63.94 -49.0 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.978 -175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 127' ' ' PHE . 61.2 t -64.13 -44.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.403 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 52.8 mt-10 -72.69 -18.49 61.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.301 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.9 m -87.72 -5.77 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.016 0.436 . . . . 0.0 110.418 173.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.12 -1.55 31.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.099 0.476 . . . . 0.0 109.864 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 79.8 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.056 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -133.84 158.62 42.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.153 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.52 127.58 75.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.171 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.0 m -106.49 111.36 23.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.72 148.74 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.934 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 11.2 pt-20 -148.41 160.26 43.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.997 0.427 . . . . 0.0 111.597 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.18 142.09 18.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.389 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 34.0 m -97.31 118.48 33.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.913 0.387 . . . . 0.0 111.311 -176.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' A' ' 128' ' ' LYS . 16.4 t -100.23 143.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.785 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.63 11.67 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 111.748 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -100.28 150.29 36.79 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.731 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 12.8 Cg_exo -68.14 153.84 73.83 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 111.95 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.31 -23.92 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.56 84.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.815 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.548 0.213 . . . . 0.0 110.829 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.95 -42.41 89.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 109.993 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.31 -53.04 61.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -63.7 -44.68 92.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.684 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -91.6 -17.61 25.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 p -110.26 -16.32 13.77 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.8 m -89.88 117.6 68.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 122.308 -0.245 . . . . 0.0 110.878 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.17 -31.5 66.05 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.22 2.613 . . . . 0.0 112.791 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -33.53 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.24 -39.07 10.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.962 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 22' ' ' THR . 77.6 mt -51.73 -46.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.424 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -67.46 -8.53 34.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.854 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -91.75 -43.06 9.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.746 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.449 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 43.3 p-90 -100.16 -13.9 18.75 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.422 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 64.1 t30 -77.09 84.9 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.94 0.4 . . . . 0.0 110.75 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.96 124.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.126 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.25 -28.12 61.96 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 t -133.93 152.72 51.96 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.74 -8.57 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 111.015 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.65 -18.15 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 0.0 109.719 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.567 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 56.6 m95 -96.73 161.69 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.309 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.22 157.03 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.54 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 25.2 m -86.56 113.95 22.89 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -82.84 -32.2 27.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.029 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.72 135.16 17.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.981 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -150.78 116.19 5.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.996 0.427 . . . . 0.0 111.512 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -118.33 118.1 30.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.365 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 51' ' ' PHE . 59.5 t -118.94 122.7 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 111.088 -176.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.7 101.01 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.96 109.78 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.809 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -177.81 166.98 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.03 113.79 11.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.67 -4.81 50.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.68 162.29 35.86 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.66 160.27 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.053 0.454 . . . . 0.0 111.127 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.54 ' HB2' HG23 ' A' ' 43' ' ' VAL . 53.1 p90 -129.4 141.74 50.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.941 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.651 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 16.3 m -119.82 115.0 22.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.897 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 p -128.09 110.46 12.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.849 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 12.3 ttp180 -96.21 110.53 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.567 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 38.6 ttm -99.46 119.33 37.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.655 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 66.5 mt-10 -125.38 158.53 34.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.98 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 112.561 -0.215 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -150.89 156.04 40.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.7 0.25 . . . . 0.0 110.598 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.7 p-10 -101.19 120.11 39.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.597 0.713 . . . . 0.0 110.447 176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -107.38 118.62 37.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.31 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.53 154.23 21.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.634 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -118.34 125.81 50.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.906 0.353 . . . . 0.0 110.78 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -73.24 119.07 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.114 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.5 p -92.09 -36.0 13.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.726 0.298 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -147.49 128.04 14.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.976 0.417 . . . . 0.0 109.933 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.9 t -118.9 133.27 66.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 77' ' ' LYS . 43.8 t -130.66 112.96 23.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.21 132.31 51.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 0.0 111.066 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 67.27 18.83 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.485 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 mmtt -134.35 -70.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 0.0 111.974 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.684 HH22 ' HD2' ' A' ' 89' ' ' LYS . 10.2 ptm85 -154.4 145.23 22.52 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.0 112.117 -169.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 90' ' ' VAL . 54.6 mt -119.94 111.13 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.254 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -111.3 112.54 24.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -137.25 151.66 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 111.117 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.29 144.3 44.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.16 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -129.73 112.98 14.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.398 0.618 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 -103.43 1.58 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.19 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -122.98 -1.95 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.763 0.316 . . . . 0.0 110.705 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -122.5 139.24 54.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.387 . . . . 0.0 111.046 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t -106.75 163.62 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.488 -174.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.72 145.56 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.946 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.684 ' HD2' HH22 ' A' ' 78' ' ' ARG . 39.7 mtmt -113.6 134.98 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 79' ' ' ILE . 61.6 t -112.89 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 168.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.99 133.3 53.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.013 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -102.83 104.51 14.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.029 0.443 . . . . 0.0 110.346 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 76.0 mt -90.45 110.89 21.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.305 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.97 111.59 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 159.56 29.68 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.501 174.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 30.8 Cg_endo -64.1 -21.42 67.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.257 1.971 . . . . 0.0 112.348 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -101.17 -1.23 34.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.605 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.19 -164.54 28.96 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.064 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.8 119.45 58.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 48.7 m -89.03 111.57 22.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.071 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -83.12 106.62 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.883 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -101.59 113.99 27.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 68.3 t -109.38 112.79 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.081 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t -110.12 106.89 16.53 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -119.74 142.82 48.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.59 122.19 24.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.65 148.16 24.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.867 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.28 118.69 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.471 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.4 p -71.99 -6.04 39.28 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.086 0.469 . . . . 0.0 111.268 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.55 2.97 48.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.663 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -129.13 150.96 76.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.145 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.18 140.36 88.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.712 2.274 . . . . 0.0 112.756 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.61 -42.09 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.692 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -47.28 -55.39 8.79 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.704 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.525 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.84 -38.57 83.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.5 -53.04 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.55 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.19 -33.88 75.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.884 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.467 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.73 -56.69 21.43 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.188 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -67.87 -34.42 76.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.646 0.26 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.55 -42.21 99.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.272 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.16 91.82 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 119' ' ' GLY . 82.8 mt -60.5 -43.82 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.394 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.28 -39.31 93.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.25 -37.47 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.09 -34.92 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.522 ' O ' HG22 ' A' ' 131' ' ' VAL . 76.2 t80 -58.58 -56.59 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 172.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.538 ' HG3' HG13 ' A' ' 9' ' ' VAL . 79.4 tttt -53.21 -46.85 69.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -50.41 -54.59 20.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.085 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 80.3 t60 -68.98 -39.15 79.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 -176.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 127' ' ' PHE . 95.4 t -68.18 -41.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.404 ' OE2' ' HE3' ' A' ' 128' ' ' LYS . 77.9 mt-10 -69.39 -33.88 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.659 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.0 p -79.52 -2.24 41.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.158 0.504 . . . . 0.0 110.455 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 18.5 t-80 -93.43 -7.8 43.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.461 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.711 -178.238 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -118.74 117.93 30.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 113' ' ' VAL . 63.5 mt -88.85 130.16 38.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 m -107.7 110.03 21.77 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 121.28 0.562 . . . . 0.0 110.12 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.466 HG22 ' HB ' ' A' ' 103' ' ' VAL . 14.8 m -114.39 135.25 54.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 176.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.9 pt-20 -142.15 150.34 40.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -150.77 133.95 16.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.28 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 29.1 m -96.35 102.89 14.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.168 0.508 . . . . 0.0 110.611 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.19 141.0 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.426 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.37 12.15 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 111.915 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.19 148.43 35.92 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.524 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.18 155.62 64.06 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.86 2.374 . . . . 0.0 112.079 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.44 -30.23 47.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.668 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -61.92 -32.04 80.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.404 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -85.13 -39.69 17.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.739 0.304 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.467 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 69.8 mtt-85 -73.52 -40.76 63.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.209 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.53 70.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.094 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -82.41 -19.06 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 p -110.91 2.01 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.4 m -99.37 105.84 35.54 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.7 Cg_endo -52.64 -36.2 70.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.651 2.9 . . . . 0.0 113.074 -174.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.18 -38.94 90.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -82.55 -33.58 28.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.486 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 22' ' ' THR . 68.1 mt -55.24 -41.22 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.522 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 52.3 mtmt -57.47 -19.82 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 48.4 p-90 -111.04 -19.08 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.994 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -82.62 90.36 6.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.053 0.454 . . . . 0.0 110.467 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.47 105.32 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.08 -18.62 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.862 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -136.87 158.83 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.299 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.93 -31.3 72.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 19.6 m-20 -81.04 -16.57 52.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.425 -175.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.444 ' HE3' ' HG3' ' A' ' 55' ' ' MET . 80.3 m95 -114.05 146.79 39.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.82 -173.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -162.96 151.14 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 26.2 m -69.72 114.44 7.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.551 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -89.66 -42.64 11.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.064 0.459 . . . . 0.0 110.588 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.92 120.42 33.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.294 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.74 112.98 14.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -119.97 113.16 20.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.48 116.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.868 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -98.01 98.98 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -80.9 99.35 8.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.289 0.566 . . . . 0.0 110.995 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -172.36 157.68 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.962 . . . . 0.0 108.877 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.03 115.73 13.84 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.6 41.27 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.321 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.54 178.23 29.95 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.586 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.87 147.48 37.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.773 0.32 . . . . 0.0 110.784 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 31.8 p90 -127.44 150.15 49.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.165 178.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.5 t -135.36 126.91 28.81 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 p -128.59 106.0 8.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.907 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.614 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 35.6 ttp180 -83.1 114.22 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.42 0.629 . . . . 0.0 111.118 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.444 ' HG3' ' HE3' ' A' ' 36' ' ' TRP . 44.7 tpp -95.49 114.87 26.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.922 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HG3' ' HG2' ' A' ' 54' ' ' ARG . 48.4 mt-10 -123.48 150.62 43.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.934 0.397 . . . . 0.0 110.994 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.42 119.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.854 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.7 ptpt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.428 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.45 143.67 34.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.688 0.28 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.614 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.8 p-10 -92.08 123.51 35.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.216 0.532 . . . . 0.0 110.503 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -93.89 106.2 18.18 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -114.49 141.99 46.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.2 152.16 24.31 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.731 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.2 m -112.94 126.72 55.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.633 0.254 . . . . 0.0 110.458 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -76.25 113.95 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.197 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -88.23 -33.09 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -147.14 123.98 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.478 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.82 115.35 49.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.174 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.465 HG12 ' HB3' ' A' ' 77' ' ' LYS . 37.3 t -117.48 112.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.42 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.111 -172.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.24 30.55 1.48 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.878 1.271 . . . . 0.0 113.092 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.6 tttt -137.34 -66.87 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.439 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -150.58 134.51 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.272 0.558 . . . . 0.0 112.035 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.2 mt -114.72 113.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.451 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -116.43 124.28 49.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.076 0.465 . . . . 0.0 110.405 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -143.63 158.84 43.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.841 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.44 141.52 48.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.265 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.44 107.6 7.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.92 -121.08 20.88 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.132 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.56 -1.76 56.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.983 0.42 . . . . 0.0 111.238 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -120.44 171.94 8.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.552 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 t -147.13 159.33 43.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.46 137.37 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 111.453 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -113.86 112.13 22.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.859 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG13 HG23 ' A' ' 103' ' ' VAL . 41.8 t -109.06 107.84 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.309 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -114.5 145.24 42.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.92 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -106.65 104.42 14.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.013 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.7 mt -96.76 106.56 18.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.174 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.55 108.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.286 0.565 . . . . 0.0 110.575 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.45 165.56 12.74 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.962 -173.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 11.1 Cg_endo -55.15 -28.62 62.0 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.776 2.318 . . . . 0.0 113.394 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.413 ' HB2' HG21 ' A' ' 8' ' ' THR . 85.4 mm-40 -91.7 -10.88 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.62 0.248 . . . . 0.0 111.484 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.24 -111.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.547 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -136.82 121.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.973 0.416 . . . . 0.0 110.982 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.5 m -86.6 109.98 19.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 176.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.49 105.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -102.55 107.92 19.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.365 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.466 ' HB ' HG22 ' A' ' 5' ' ' VAL . 44.9 t -101.72 107.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.962 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m -103.52 104.28 14.33 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -122.87 145.51 48.39 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.046 0.45 . . . . 0.0 111.193 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.0 t -76.68 129.13 37.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.798 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.53 147.1 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.78 139.62 45.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.509 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 p -87.42 -13.38 43.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.16 8.2 45.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.004 0.431 . . . . 0.0 111.201 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.67 153.77 54.5 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.763 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.69 102.61 0.11 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.777 2.318 . . . . 0.0 112.317 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 3' ' ' ILE . 67.3 t -65.32 -40.92 90.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.364 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -40.62 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.46 -36.01 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.19 0.519 . . . . 0.0 110.36 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -72.19 -39.88 68.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.694 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.01 -47.44 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.905 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.21 -45.38 88.53 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.092 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.9 -52.32 52.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.193 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.78 -34.43 78.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 0.211 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.11 -40.06 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.985 0.421 . . . . 0.0 110.154 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.4 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.41 . . . . 0.0 110.19 175.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 119' ' ' GLY . 81.9 mt -63.69 -44.11 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.627 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.2 mt -63.88 -43.74 95.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.594 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.498 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 87.5 m-20 -66.84 -33.59 75.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.668 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 64.0 t30 -69.62 -41.29 75.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.31 0.576 . . . . 0.0 109.453 176.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.445 ' O ' HG22 ' A' ' 131' ' ' VAL . 78.6 t80 -58.45 -48.63 80.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.06 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 132' ' ' GLU . 62.2 tttm -51.6 -57.09 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.659 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 57.9 mtt-85 -58.42 -43.07 88.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.111 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.88 -42.49 90.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.815 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 90.5 t -68.47 -39.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.406 ' CD ' ' HZ3' ' A' ' 128' ' ' LYS . 97.2 mt-10 -71.1 -17.73 62.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.849 177.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -77.56 -13.18 59.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 172.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 39.9 m-70 -75.87 -19.83 58.56 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 171.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.4 mt . . . . . 0 C--O 1.233 0.224 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.032 -179.759 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.693 0.282 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -119.27 116.31 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 113' ' ' VAL . 64.9 mt -93.74 134.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m -122.41 113.44 19.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.002 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.6 m -113.97 151.33 15.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.542 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 14.2 pt-20 -154.65 160.37 41.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.429 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -157.02 148.56 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.74 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -99.51 105.09 16.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 128' ' ' LYS . 12.1 t -88.01 130.83 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.879 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 12.02 4.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.045 0.45 . . . . 0.0 111.75 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.77 154.28 37.4 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.56 146.11 92.43 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.758 2.305 . . . . 0.0 112.045 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.22 -29.23 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.143 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.44 98.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.318 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -77.04 -37.56 54.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.73 -43.02 94.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.249 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 55.0 t-105 -57.43 -49.72 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.015 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -72.02 -35.15 69.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.825 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.083 0.468 . . . . 0.0 110.804 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -82.71 -11.77 58.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.868 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 p -117.41 -0.42 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' ILE . 88.0 m -96.01 110.3 51.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.62 -43.66 49.22 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.534 2.823 . . . . 0.0 113.554 -173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 8.7 pt-20 -71.7 -16.01 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.641 -176.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -95.38 -41.54 8.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.56 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 84.9 mt -50.93 -48.45 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.402 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.7 pttt -65.63 -6.99 12.81 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.14 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -90.68 -25.5 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 31.7 p-90 -117.28 -11.95 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -78.88 84.36 4.93 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.955 0.407 . . . . 0.0 110.347 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.88 112.62 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.931 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.25 13.0 26.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -158.96 150.63 20.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.34 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.16 -19.38 63.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.018 0.437 . . . . 0.0 109.967 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.35 -16.42 37.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.319 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.632 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 61.5 m95 -107.42 149.9 27.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -158.91 148.03 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.219 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.4 m -83.7 113.68 21.05 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -39.27 19.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.287 -175.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.56 146.97 35.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.396 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.23 130.82 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 m -141.76 125.8 17.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 51' ' ' PHE . 96.6 t -132.81 125.02 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.654 0.264 . . . . 0.0 111.453 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -105.37 98.35 8.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -82.35 106.21 14.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -173.31 164.06 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 81.5 mt-10 -70.91 105.55 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 13.85 30.85 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.436 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.19 179.07 42.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.851 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.02 160.34 40.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB2' HG21 ' A' ' 43' ' ' VAL . 42.0 p90 -138.46 147.7 43.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.133 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 p -134.25 124.69 26.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.202 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -128.56 133.57 48.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -102.36 93.64 5.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.903 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.632 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 35.5 ttp -101.67 118.66 37.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -125.26 159.3 31.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.594 -174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.51 136.32 36.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.2 mttt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.849 -173.367 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -155.1 166.3 34.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.598 0.699 . . . . 0.0 112.168 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 102.94 14.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.832 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.87 105.34 17.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.56 146.0 47.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.698 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.87 170.13 33.1 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.865 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.0 m -117.2 132.8 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -80.43 110.72 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -84.04 -32.66 24.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 18.1 tptm -147.81 127.05 12.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.426 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 99.0 t -135.38 102.65 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.687 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -113.43 119.61 61.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.241 0.543 . . . . 0.0 109.641 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 44.8 tt0 -66.22 131.77 46.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.514 -171.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.53 28.0 6.03 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.198 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 78' ' ' ARG . 35.3 mmtm -138.45 -76.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.627 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.555 ' HD2' ' HB3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -157.43 150.88 23.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 111.798 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -113.51 116.06 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.912 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.61 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 33.0 tt0 -110.66 123.49 50.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -147.7 160.13 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 111.287 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.359 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -128.18 118.93 24.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.64 -108.6 2.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.765 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.25 0.14 14.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.839 0.352 . . . . 0.0 110.342 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 20.8 mmt180 -118.94 135.7 54.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.387 . . . . 0.0 111.206 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.0 t -112.39 148.99 33.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.842 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.92 143.51 34.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -127.05 112.4 15.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.327 0.584 . . . . 0.0 110.169 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.407 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -88.19 113.62 25.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.502 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -106.36 134.66 49.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.01 0.433 . . . . 0.0 110.602 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.75 108.65 20.27 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.3 mt -90.37 115.4 27.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.273 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.23 106.09 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.266 0.555 . . . . 0.0 111.058 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -106.37 158.16 33.28 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.373 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 19.4 Cg_endo -59.52 -31.04 93.93 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.454 2.102 . . . . 0.0 113.079 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -96.66 -23.89 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.97 -168.96 35.63 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.672 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.28 119.65 60.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.017 0.437 . . . . 0.0 110.517 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 28.8 m -84.96 110.37 18.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.535 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.3 t -85.19 109.49 18.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -112.37 123.91 51.32 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 HG13 ' A' ' 90' ' ' VAL . 45.6 t -112.27 107.72 23.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -103.44 113.83 27.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -130.44 149.85 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.879 0.371 . . . . 0.0 111.173 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.35 121.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -103.09 146.92 27.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.86 -171.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.07 131.82 43.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.419 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.3 p -85.68 -11.26 54.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.265 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -82.75 -32.96 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.056 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.32 151.1 41.19 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.506 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 42.8 Cg_exo -57.22 129.25 33.21 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.794 2.329 . . . . 0.0 112.384 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 3' ' ' ILE . 65.6 t -64.76 -29.95 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.99 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.73 -56.67 12.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.434 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -32.79 73.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.196 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.0 mt-30 -68.11 -47.81 67.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.286 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -71.95 -53.11 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.78 -37.25 86.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.969 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.478 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.78 -58.51 13.44 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.142 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.421 ' HB3' HG21 ' A' ' 5' ' ' VAL . 41.8 m95 -63.3 -36.14 82.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.461 0.172 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -63.43 -43.74 96.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.62 96.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 119' ' ' GLY . 77.6 mt -62.16 -41.72 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.303 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.1 -36.87 82.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.136 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.81 -41.25 83.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -62.71 -41.16 99.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 131' ' ' VAL . 63.3 t80 -58.77 -56.04 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.654 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.449 ' HB3' HG21 ' A' ' 9' ' ' VAL . 59.1 pttt -61.27 -42.67 99.04 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.836 -176.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 129' ' ' ARG . 48.3 mtp85 -62.67 -38.5 90.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 127' ' ' PHE . 39.3 t -78.49 -44.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.58 -45.2 85.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.924 0.393 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 m -72.23 -17.38 61.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -88.54 -11.24 46.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.362 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.72 179.146 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.05 122.61 27.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.454 HD12 HG13 ' A' ' 113' ' ' VAL . 62.9 mt -112.09 130.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.821 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.6 m -107.73 112.82 25.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' A' ' 103' ' ' VAL . 16.0 m -113.85 137.7 46.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.34 145.86 34.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.203 0.525 . . . . 0.0 111.989 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -144.76 130.17 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.135 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 89.0 m -101.68 111.05 23.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.75 145.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.821 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.23 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.904 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.783 ' HB1' HD11 ' A' ' 135' ' ' LEU . . . -99.68 152.62 37.87 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.757 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.4 Cg_exo -69.66 156.0 64.77 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.504 2.136 . . . . 0.0 111.297 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 76' ' ' ASN . 9.7 p -59.82 -28.17 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.979 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -60.06 -36.71 91.24 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.37 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.6 mttm -84.8 -41.19 16.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.54 -45.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.284 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.511 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.4 t-105 -56.26 -49.52 73.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 77.8 mtt-85 -67.6 -39.41 84.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 -173.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.45 -32.55 70.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 0.0 111.374 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -81.54 -15.75 53.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.19 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 ' HB ' HD23 ' A' ' 45' ' ' LEU . 23.1 p -108.36 -31.17 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 26' ' ' ILE . 30.0 m -76.5 112.18 20.07 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.495 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 16.4 Cg_endo -57.7 -24.66 64.28 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.121 2.548 . . . . 0.0 112.585 -176.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 8.0 tp10 -66.11 -37.2 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.297 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 21.3 t70 -88.09 -33.59 18.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.882 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.498 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 68.4 mt -52.39 -43.93 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.679 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 33.8 mtmm -64.41 -8.07 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -91.22 -18.41 24.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.902 -0.135 . . . . 0.0 111.209 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.498 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 50.0 p-90 -132.22 -3.5 3.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.76 80.77 2.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 111.05 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -169.7 132.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.081 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.19 -23.55 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 109.701 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -156.25 158.18 37.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.088 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -69.36 -4.42 18.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.3 -11.78 59.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.844 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -106.45 148.18 28.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.174 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -137.31 139.1 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -38.32 21.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 -175.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.54 128.92 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.705 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.4 115.28 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.6 m -122.85 117.22 25.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.914 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.32 113.44 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.75 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -101.42 103.3 14.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD23 ' HB ' ' A' ' 21' ' ' THR . 55.8 tp -80.75 100.3 8.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.448 -174.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -168.32 162.67 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.34 100.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.34 15.19 20.14 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.18 144.25 17.03 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.746 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.43 151.88 19.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.187 0.518 . . . . 0.0 111.039 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -135.24 144.62 46.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.308 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 t -146.88 121.47 9.77 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 112.06 14.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.626 HH11 ' HB2' ' A' ' 65' ' ' ASP . 19.8 mmm180 -82.79 102.65 11.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.256 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 86.3 mtp -102.3 112.57 25.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -124.52 151.94 44.04 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.1 142.49 34.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.14 164.27 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 0.0 111.057 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.626 ' HB2' HH11 ' A' ' 54' ' ' ARG . 18.1 t70 -123.95 123.56 40.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.132 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -97.29 106.29 18.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.88 128.7 49.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.017 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.24 -172.89 29.19 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.098 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.8 m -129.71 134.85 47.87 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 86.0 m-85 -73.19 111.95 8.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 p -84.35 -34.04 23.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HB2' ' HB3' ' A' ' 80' ' ' GLU . 31.4 mmtp -137.8 138.09 38.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.731 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.04 100.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.053 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.435 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 24.3 t -104.91 100.46 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.7 tt0 -55.24 123.71 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.052 -173.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.479 ' OD1' HG13 ' A' ' 13' ' ' VAL . 48.8 m-80 67.49 22.96 9.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.269 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 77' ' ' LYS . 21.6 ttmm -139.62 -61.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.083 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 13.0 ptp180 -152.46 151.29 30.58 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.907 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.3 mt -124.35 118.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.454 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.837 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 20.2 tt0 -115.35 122.34 45.59 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.479 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 39.2 p90 -139.85 150.76 45.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -117.98 124.61 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.92 177.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -119.45 123.64 44.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.241 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -103.83 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.627 -0.796 . . . . 0.0 111.309 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.37 -10.92 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -109.43 135.15 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.043 -172.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 11.7 t -108.46 153.18 23.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.03 139.87 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -117.08 110.98 18.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.988 0.423 . . . . 0.0 110.404 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.625 HG23 HG12 ' A' ' 103' ' ' VAL . 60.7 t -102.31 117.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.667 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.73 134.58 54.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 -177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -99.17 104.46 16.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.753 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 64.2 mt -88.94 105.44 17.77 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.32 106.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.285 0.564 . . . . 0.0 110.376 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.76 165.47 12.71 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.067 -175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.4 -42.9 44.47 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 111.891 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -90.47 15.93 9.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.51 -131.06 5.62 Favored Glycine 0 C--O 1.226 -0.377 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.864 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -132.87 120.02 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.47 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 58.8 m -89.39 105.76 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.086 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.95 105.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.683 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -105.51 112.95 26.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.326 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.625 HG12 HG23 ' A' ' 90' ' ' VAL . 46.4 t -102.76 109.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.165 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.2 t -107.89 107.2 17.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.28 150.99 41.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.82 106.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.446 0.641 . . . . 0.0 109.864 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.72 146.98 23.33 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.406 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -84.64 117.25 23.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.2 t -72.52 -2.49 19.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.531 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -69.63 -38.85 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.595 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 51.0 m-85 -80.11 161.71 64.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.46 110.6 0.63 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.247 1.964 . . . . 0.0 111.304 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.454 HG13 HD12 ' A' ' 3' ' ' ILE . 57.6 t -61.09 -45.62 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.903 -173.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.44 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -175.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -69.89 -40.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.298 -177.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.595 ' NE2' ' HB2' ' A' ' 111' ' ' TYR . 54.6 mt-30 -63.83 -48.71 75.7 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.779 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -57.54 -44.95 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.551 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.52 -46.46 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.502 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.41 -49.27 80.41 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.453 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.425 ' HB3' HG21 ' A' ' 5' ' ' VAL . 69.2 m95 -63.88 -43.16 96.87 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.12 -36.25 83.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.298 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.24 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.623 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.5 mt -61.84 -41.53 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.38 177.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -34.26 77.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.464 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -73.95 -40.13 63.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.761 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.68 -41.37 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.478 . . . . 0.0 109.793 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.468 ' O ' HG21 ' A' ' 131' ' ' VAL . 68.6 t80 -59.78 -49.26 78.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.391 174.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.33 -51.87 65.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -54.33 -48.08 71.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.445 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.413 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 76.6 t60 -56.77 -43.96 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.412 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.8 t -73.18 -49.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.427 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.24 -35.99 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.291 . . . . 0.0 111.503 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -73.51 -15.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.245 0.545 . . . . 0.0 110.022 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -94.94 -3.87 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.76 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.783 HD11 ' HB1' ' A' ' 11' ' ' ALA . 79.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.523 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -134.13 114.65 13.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.796 0.332 . . . . 0.0 110.637 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' A' ' 117' ' ' GLN . 66.1 mt -92.98 123.06 44.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.3 m -103.65 111.3 23.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.382 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.77 161.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.749 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.5 pt-20 -148.42 157.99 43.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.922 0.391 . . . . 0.0 111.832 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 124' ' ' LEU . 8.8 t -149.87 131.88 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.253 173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -98.86 105.99 18.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.682 0.277 . . . . 0.0 110.267 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.33 135.56 26.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.172 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 12.09 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.118 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -108.73 153.51 42.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.65 154.4 55.01 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.53 2.153 . . . . 0.0 111.857 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.46 -29.67 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.205 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -43.92 98.67 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.2 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.86 -44.18 73.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.289 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.91 -43.6 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.601 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 48.6 t-105 -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.962 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.7 mtp180 -67.95 -44.95 75.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.94 68.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.071 0.462 . . . . 0.0 111.248 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -86.96 -18.5 30.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.013 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -114.2 1.79 14.64 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 26' ' ' ILE . 36.0 m -95.97 113.7 62.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.635 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.506 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 72.2 Cg_exo -50.39 -40.19 53.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.615 2.876 . . . . 0.0 113.657 -175.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.063 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.8 -44.66 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.915 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.533 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 77.7 mt -52.2 -47.15 44.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.32 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -57.84 -20.93 39.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.08 -31.7 11.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.294 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.578 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 19.4 p-90 -97.85 -14.5 20.69 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.629 -0.829 . . . . 0.0 112.445 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.93 78.01 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.474 0.654 . . . . 0.0 109.551 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.92 152.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.632 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.26 49.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.995 0.426 . . . . 0.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -173.7 165.66 4.49 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.67 -5.21 27.92 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.448 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.42 -12.29 61.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.595 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -120.7 161.82 20.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -152.28 147.7 26.67 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.528 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.543 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 84.9 m -99.57 110.78 23.2 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 p -84.04 -42.36 16.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -173.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.25 120.86 29.65 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -139.1 99.3 3.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 33.2 m -104.32 116.13 31.61 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.866 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.58 110.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.36 92.13 7.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -79.94 95.09 6.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.383 -172.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -169.57 165.46 10.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.932 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.1 115.47 11.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.48 11.56 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.57 147.62 16.4 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.12 38.33 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' THR . 45.6 p90 -126.18 144.23 50.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 26.5 m -129.95 122.58 28.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -128.59 112.37 14.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.997 0.427 . . . . 0.0 109.971 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -100.33 105.54 17.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.229 0.537 . . . . 0.0 110.667 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.41 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 49.0 ttm -93.17 121.34 34.43 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.295 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 55.9 mt-10 -116.65 154.91 29.72 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.26 135.24 37.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 169.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.0 tttm . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 121.172 0.51 . . . . 0.0 110.237 -174.886 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 55' ' ' MET . 13.6 p90 -151.94 151.93 31.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.39 116.26 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.288 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.96 113.24 26.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.087 0.47 . . . . 0.0 110.75 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.23 132.44 54.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.982 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.06 168.09 24.69 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.154 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -128.38 133.5 48.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.777 0.322 . . . . 0.0 110.361 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -76.51 113.66 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.145 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 p -83.66 -36.23 23.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.012 0.434 . . . . 0.0 110.357 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 33.0 mmtt -141.89 119.03 11.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.15 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.31 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.917 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.503 HG12 ' HD3' ' A' ' 77' ' ' LYS . 18.2 t -108.96 96.53 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.6 tt0 -57.37 132.88 54.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.555 -173.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.67 9.14 6.8 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.257 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.503 ' HD3' HG12 ' A' ' 74' ' ' VAL . 60.6 tttp -131.48 -67.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -158.01 161.08 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 0.0 112.103 -173.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.0 mt -132.94 127.62 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.779 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 41.7 mt-10 -113.83 130.59 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -152.67 151.59 30.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.528 . . . . 0.0 111.239 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.11 125.21 52.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.43 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -122.57 124.03 42.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.131 0.491 . . . . 0.0 110.9 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.62 -103.64 0.72 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.643 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -114.86 -4.23 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.448 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . 78.8 mtm-85 -137.36 161.36 36.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.032 -175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.3 t -114.29 161.51 17.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -142.7 138.28 30.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.353 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -118.24 114.18 22.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 103' ' ' VAL . 52.3 t -106.19 126.33 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 134.48 53.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.773 0.321 . . . . 0.0 111.059 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.24 107.57 19.43 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.17 110.33 22.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.689 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.557 ' HG2' HG21 ' A' ' 99' ' ' VAL . 33.1 mt-10 -74.37 117.07 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.559 0.695 . . . . 0.0 111.117 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.522 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.97 164.9 13.84 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.019 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.74 -11.26 25.75 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.537 2.158 . . . . 0.0 112.507 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -106.06 -2.42 22.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.646 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.08 -174.4 21.71 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.821 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.557 HG21 ' HG2' ' A' ' 94' ' ' GLU . 48.9 t -94.54 118.77 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.068 0.461 . . . . 0.0 110.844 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -93.88 108.6 20.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.211 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.5 t -87.13 109.05 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.874 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -102.14 112.77 25.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 90' ' ' VAL . 51.1 t -104.53 107.57 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.971 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -106.65 104.55 14.26 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 46.8 p90 -116.47 143.52 45.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -174.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 86' ' ' ARG . 95.1 t -72.12 117.85 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.75 146.94 32.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.236 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.0 134.23 52.77 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.664 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.2 p -73.27 -11.27 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.031 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -62.24 -21.21 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.137 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -125.74 155.08 73.11 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.216 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HG2' ' HG2' ' A' ' 115' ' ' GLN . 8.7 Cg_endo -52.75 115.31 2.16 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.41 2.073 . . . . 0.0 112.219 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 3' ' ' ILE . 97.3 t -61.26 -40.05 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.057 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.81 -48.93 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.337 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.425 ' HG2' ' HG2' ' A' ' 112' ' ' PRO . 4.8 pp0? -73.8 -22.47 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.013 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -72.92 -47.29 46.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.512 ' HB2' HD13 ' A' ' 3' ' ' ILE . 35.6 tt0 -68.36 -54.97 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.342 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -61.76 -33.21 73.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.032 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.31 -57.0 22.04 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.17 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -70.1 -33.59 72.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.367 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -61.74 -46.44 89.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.561 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.1 mt -62.35 -41.94 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.955 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.505 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 77.8 mt -67.05 -36.72 82.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 111.266 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.44 -38.35 74.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.459 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 51.2 t30 -68.71 -39.15 80.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.917 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.52 -43.45 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.388 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -51.85 -55.37 20.42 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.146 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -61.43 -38.27 86.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.854 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -62.3 -39.51 93.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.186 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 52.2 t -82.3 -53.13 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.484 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.49 -41.67 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -171.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -6.38 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.297 0.57 . . . . 0.0 110.51 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -96.49 -3.98 42.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.652 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 11' ' ' ALA . 94.3 mt . . . . . 0 C--O 1.233 0.222 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.034 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.95 144.38 42.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.1 mt -117.99 124.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 m -111.93 111.08 21.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.976 0.417 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.63 140.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.226 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 168.12 11.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.514 0.674 . . . . 0.0 111.506 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.67 HG22 ' HD3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -165.03 116.75 1.17 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.789 -179.123 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.5 m -98.57 108.99 21.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 128' ' ' LYS . 15.1 t -90.95 138.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.642 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 11.99 1.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' HD11 ' A' ' 135' ' ' LEU . . . -104.17 149.36 37.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.561 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.6 155.06 55.57 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.581 2.187 . . . . 0.0 111.78 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' A' ' 99' ' ' VAL . 7.1 p -62.1 -26.75 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.893 -172.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.49 -42.99 99.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.153 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.0 -41.65 70.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 110.417 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.83 -47.51 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.721 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -57.2 -48.92 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -64.14 -46.83 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.322 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.24 -17.89 62.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -92.3 -25.29 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.78 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -100.44 -20.87 15.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.7 m -85.02 114.72 57.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.451 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.9 Cg_endo -59.39 -24.21 73.63 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.078 2.519 . . . . 0.0 112.49 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.84 -44.21 90.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.95 -35.21 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.57 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 64.2 mt -54.23 -44.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.294 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -61.59 -14.56 31.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.755 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -95.54 -41.29 9.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.427 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 45.6 p-90 -102.7 -12.26 17.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -83.35 83.09 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.843 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.12 108.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.317 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.0 -42.9 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 110.312 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -98.14 145.86 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.173 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.54 -26.9 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' A' ' 57' ' ' ALA . 33.4 t70 -83.16 -20.64 34.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.256 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -97.22 151.13 20.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.743 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.26 161.08 33.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.244 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.428 HG21 ' HB1' ' A' ' 41' ' ' ALA . 13.7 m -85.67 110.35 19.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.133 0.492 . . . . 0.0 109.752 174.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -83.11 -35.11 25.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.642 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.98 130.02 19.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.198 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.428 ' HB1' HG21 ' A' ' 38' ' ' THR . . . -134.55 110.13 9.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.906 0.384 . . . . 0.0 111.117 -175.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -116.49 113.56 22.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.824 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.37 107.66 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.953 0.406 . . . . 0.0 110.573 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 20.9 t70 -94.98 90.59 6.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.37 0.605 . . . . 0.0 109.725 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -78.42 98.41 6.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.575 -173.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -170.4 156.44 5.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 112.62 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.02 -6.9 40.62 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -172.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.47 -178.61 51.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.102 -0.571 . . . . 0.0 111.858 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 44' ' ' ASP . . . -142.53 148.63 37.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.1 0.476 . . . . 0.0 111.486 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -113.41 155.18 25.71 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 m -147.15 113.58 5.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.916 0.389 . . . . 0.0 110.31 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -121.74 115.29 22.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.467 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 17.9 tpp180 -82.74 112.84 19.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.9 mmm -104.14 114.64 29.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 62.6 mt-10 -124.8 159.89 29.97 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 111.301 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . . . -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.617 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 8.8 mtpm? . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.47 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -152.54 156.68 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.283 0.541 . . . . 0.0 111.095 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.79 126.5 35.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -106.26 106.28 16.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.38 159.01 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.202 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.48 159.2 32.27 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.668 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 m -103.33 131.85 50.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.607 0.203 . . . . 0.0 110.61 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -75.81 114.9 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 p -86.89 -36.71 18.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -150.58 124.05 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.466 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 64.6 t -134.02 129.15 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 77' ' ' LYS . 3.3 p -141.15 134.02 30.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.18 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.45 131.5 42.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.357 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.422 ' HB2' HG21 ' A' ' 13' ' ' VAL . 11.3 p30 48.03 25.48 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.075 1.35 . . . . 0.0 113.802 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.52 ' HB3' HG12 ' A' ' 74' ' ' VAL . 55.8 tttp -125.36 -64.9 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.372 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -157.11 140.22 15.42 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.193 0.52 . . . . 0.0 111.54 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.2 mt -120.31 118.5 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.706 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.35 130.28 56.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.173 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.91 153.96 40.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.08 123.19 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -118.65 108.71 15.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.25 0.547 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.76 -119.09 8.03 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.356 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -101.48 -0.58 34.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.643 0.735 . . . . 0.0 109.892 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -108.64 163.62 13.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.912 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 t -143.68 157.18 44.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.22 142.66 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.663 0.268 . . . . 0.0 111.204 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -118.26 112.54 20.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.877 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.6 t -104.7 112.87 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -107.71 141.55 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -112.39 103.95 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.88 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.78 119.28 38.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.432 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.24 122.24 26.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.406 0.622 . . . . 0.0 111.927 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.21 27.13 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.607 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.67 -12.1 32.19 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.272 1.981 . . . . 0.0 112.706 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.44 -14.43 15.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.691 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.07 -159.73 32.22 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.911 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 13' ' ' VAL . 57.4 t -112.27 123.42 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.226 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 m -91.11 103.24 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.805 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.91 124.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -112.85 117.02 30.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.229 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.48 107.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.863 0.364 . . . . 0.0 110.314 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -111.18 109.01 18.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.18 153.05 43.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.002 0.43 . . . . 0.0 111.312 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.98 117.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 147.17 28.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.592 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 111' ' ' TYR . 8.6 tp10 -63.27 125.6 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 p -79.26 -21.8 45.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.168 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -79.58 -21.78 44.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 16.5 m-85 -100.63 151.17 37.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.494 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 15.4 Cg_exo -68.78 138.47 41.17 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.683 2.256 . . . . 0.0 112.037 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.3 -39.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.62 -53.46 51.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.809 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 34.2 tt0 -63.79 -42.09 97.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.354 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.84 -40.59 79.35 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.844 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.39 -43.67 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.603 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -73.04 -29.87 63.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.875 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -77.89 -50.83 6.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.262 -0.494 . . . . 0.0 112.985 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.19 -33.8 76.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.632 0.216 . . . . 0.0 110.896 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.66 -33.22 70.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.27 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.327 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.03 -42.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.329 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 35.6 mt -63.23 -36.88 85.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 91.4 m-20 -62.19 -56.56 17.53 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -54.42 -43.64 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.447 ' O ' HG22 ' A' ' 131' ' ' VAL . 74.9 t80 -54.19 -56.64 16.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.348 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.67 ' HD3' HG22 ' A' ' 7' ' ' THR . 22.1 pttm -71.01 -25.19 62.57 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.315 -177.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 33.2 mmm-85 -64.11 -45.91 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -60.52 -37.09 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.047 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 59.4 t -80.14 -54.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -70.14 -30.91 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.1 t -75.61 -13.08 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.986 0.422 . . . . 0.0 110.133 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -92.19 -24.44 19.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.578 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.796 HD11 ' HB1' ' A' ' 11' ' ' ALA . 84.0 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.422 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.61 0.243 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -107.22 110.29 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.8 mt -98.81 133.9 39.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.07 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -116.84 112.56 21.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -113.64 167.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.375 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.28 165.99 34.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 111.848 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.531 ' CB ' ' HB3' ' A' ' 124' ' ' LEU . 0.9 OUTLIER -163.98 117.91 1.48 Allowed 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.167 -176.093 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 92.4 m -95.12 119.57 33.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.871 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.51 146.84 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.636 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.25 12.54 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 111.461 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' ' 135' ' ' LEU . . . -103.78 153.83 38.44 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.76 151.05 85.49 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.357 2.038 . . . . 0.0 111.262 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.19 -25.55 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.101 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.0 90.18 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.257 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.76 -39.66 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.599 -0.353 . . . . 0.0 110.463 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.45 -46.96 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -56.89 -49.47 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.163 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -67.46 -44.22 79.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.165 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -79.55 -14.72 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.519 ' HB ' HD21 ' A' ' 45' ' ' LEU . 33.6 p -115.22 -9.2 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.9 m -91.94 110.28 42.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 11.2 Cg_endo -53.74 -38.87 85.23 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.339 2.693 . . . . 0.0 113.238 -173.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-10 -62.94 -34.77 78.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.4 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 13.1 t70 -83.66 -40.2 19.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 22' ' ' THR . 82.4 mt -51.48 -45.46 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.607 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 10.7 mtmp? -56.52 -17.85 9.69 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 25' ' ' ASP . 56.2 mt-30 -86.85 -19.49 28.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 -174.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.541 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 55.7 p-90 -129.91 -14.62 3.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -77.42 85.0 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.152 0.977 . . . . 0.0 111.374 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.73 133.53 5.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.351 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 -22.02 38.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.474 0.654 . . . . 0.0 110.263 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 p -157.03 160.05 38.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.909 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.24 -3.85 35.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.404 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.64 -24.13 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.305 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -109.07 155.0 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.66 131.0 9.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.335 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -78.24 112.06 14.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.299 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -83.94 -37.08 22.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.015 0.436 . . . . 0.0 110.86 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.81 127.37 26.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.68 116.19 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -120.73 116.38 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.641 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.19 120.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.142 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -106.19 90.54 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.519 HD21 ' HB ' ' A' ' 21' ' ' THR . 32.0 tp -81.4 101.86 10.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.409 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -174.0 172.27 3.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.342 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.28 116.25 10.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.52 71.86 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.325 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.98 15.88 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.15 155.37 25.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 p90 -127.19 143.76 51.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.935 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 m -124.37 125.91 45.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.31 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 p -128.44 115.71 18.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.342 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -83.32 106.59 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.9 mmt -92.69 116.27 28.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.949 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.004 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.99 136.04 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.735 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -161.44 154.24 20.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.924 0.393 . . . . 0.0 110.419 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.69 110.12 22.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.241 0.543 . . . . 0.0 109.806 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.3 110.55 14.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -117.91 129.84 55.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.86 145.77 16.95 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 m -105.65 124.9 50.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.36 112.84 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.998 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 p -83.98 -38.64 20.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -145.38 118.37 8.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.132 0.491 . . . . 0.0 110.572 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.04 120.44 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.595 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' A' ' 77' ' ' LYS . 3.3 p -132.82 124.5 50.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.721 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.24 131.59 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.147 -170.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 63.78 16.29 9.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.142 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.512 ' HB2' HG12 ' A' ' 74' ' ' VAL . 31.8 mmtp -119.82 -71.75 0.72 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 111.049 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 10.1 ptp85 -158.29 151.41 22.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.24 0.543 . . . . 0.0 111.352 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.1 111.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.282 174.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -108.38 123.28 48.6 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.66 144.36 41.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 110.5 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -109.81 122.62 47.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.226 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -107.88 110.35 22.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.336 0.589 . . . . 0.0 110.001 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -104.49 1.5 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.817 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -114.1 -13.46 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.653 0.263 . . . . 0.0 111.078 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -119.6 142.74 48.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 111.054 -174.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.1 t -109.81 162.38 14.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.287 0.565 . . . . 0.0 112.102 -172.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.06 131.8 35.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.635 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -114.02 111.99 22.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.526 HG23 HG11 ' A' ' 103' ' ' VAL . 59.2 t -102.61 115.77 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.142 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 42.6 mt-10 -111.08 137.7 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.002 0.429 . . . . 0.0 111.358 -177.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -102.79 108.23 19.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.635 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.31 110.6 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.04 111.41 6.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 110.733 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.97 168.32 8.4 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.96 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.74 -34.57 72.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.141 1.894 . . . . 0.0 111.844 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.94 -5.24 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.286 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.97 -135.8 5.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.465 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.89 118.33 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 34.8 m -91.73 106.64 18.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.512 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.51 105.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.753 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -104.13 116.93 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.526 HG11 HG23 ' A' ' 90' ' ' VAL . 60.3 t -103.33 108.04 23.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 p -99.46 104.61 16.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.566 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -122.62 154.28 38.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.802 0.334 . . . . 0.0 111.374 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.6 t -85.37 122.34 38.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.794 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.6 146.75 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.708 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.02 119.34 30.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 p -69.83 -7.38 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.381 0.61 . . . . 0.0 110.615 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.19 0.09 55.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.706 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -141.46 160.07 58.31 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.09 127.85 26.71 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.903 2.402 . . . . 0.0 112.281 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -62.52 -52.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.106 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.403 ' HG3' ' NE2' ' A' ' 115' ' ' GLN . 8.9 pt-20 -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -174.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.403 ' NE2' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mp0 -65.78 -31.48 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.726 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.435 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 51.2 mt-30 -79.78 -47.56 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -54.36 -55.09 32.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.966 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -73.12 -25.74 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.16 -55.47 21.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.148 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.435 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 87.8 m95 -63.25 -36.87 85.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.58 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.91 -39.56 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.913 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 119' ' ' GLY . 72.3 mt -60.95 -44.74 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 7' ' ' THR . 42.5 mt -63.54 -45.31 91.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.456 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.41 -39.91 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.99 -42.95 72.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.164 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 131' ' ' VAL . 77.4 t80 -58.28 -47.34 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.316 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -52.25 -59.14 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.548 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -61.52 -38.4 87.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.847 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.55 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.2 t -67.9 -45.55 83.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.961 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.14 -38.84 87.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.321 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.3 m -73.02 -36.47 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 0.0 110.63 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -66.59 -30.31 70.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.605 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 11' ' ' ALA . 96.8 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.24 175.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 121.051 0.453 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 130.8 52.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.063 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 HG13 ' A' ' 113' ' ' VAL . 57.0 mt -109.27 128.55 65.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -118.24 111.07 18.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.926 0.393 . . . . 0.0 110.152 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 m -121.04 134.82 63.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.675 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -134.53 164.65 26.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.148 0.499 . . . . 0.0 111.773 -176.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -156.33 130.57 8.68 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.362 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 46.5 m -96.17 115.01 26.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 0.0 111.041 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 t -90.21 135.31 26.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -3.53 28.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.387 . . . . 0.0 111.543 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . . . -91.46 152.81 43.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 161.65 37.98 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.117 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.3 -23.16 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.241 -174.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -29.29 67.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.055 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 67.1 mttm -85.48 -51.44 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.986 0.422 . . . . 0.0 110.125 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.1 t -57.61 -47.81 84.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.049 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.8 t-105 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.716 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -81.36 -22.85 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 -29.13 61.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.328 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -83.81 -16.11 45.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.225 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.0 p -111.56 -23.22 10.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 26' ' ' ILE . 46.0 m -78.48 112.62 27.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.751 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.9 -34.28 96.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.219 2.612 . . . . 0.0 112.799 -175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -61.9 -33.78 74.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.163 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 18.6 t70 -91.92 -30.34 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.102 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -56.04 -39.67 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.129 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.8 mtmt -62.18 -8.09 5.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.952 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -94.17 -49.62 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.071 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -100.78 -8.77 22.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.447 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 44.6 t30 -71.39 89.04 0.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -171.9 118.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.522 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.85 -23.17 63.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.704 0.764 . . . . 0.0 109.523 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 23.6 m -146.5 152.88 39.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -4.2 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.539 . . . . 0.0 110.428 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 12.4 m-20 -78.81 -10.42 59.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.54 147.86 26.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.446 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -140.22 135.52 32.45 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 30' ' ' ASN . 19.6 m -73.65 111.85 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -41.74 17.06 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.632 -172.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.97 142.43 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.44 122.18 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.036 0.446 . . . . 0.0 111.602 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -122.97 115.58 22.14 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.44 115.71 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -105.4 108.86 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.926 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.6 tp -91.62 101.8 14.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.427 -173.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -169.64 165.7 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.44 103.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.62 9.23 33.51 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.18 176.47 53.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.35 155.37 44.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.101 0.45 . . . . 0.0 110.773 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -131.3 155.04 47.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 t -149.47 113.16 5.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -127.94 120.01 26.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.097 0.475 . . . . 0.0 111.505 -173.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.615 ' HD2' ' HB2' ' A' ' 65' ' ' ASP . 49.2 mmm-85 -82.87 118.19 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.434 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 15.7 ptp -119.77 123.01 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.25 152.96 40.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.46 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.34 115.1 23.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 169.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 18.6 ptpt . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.825 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -161.37 177.44 10.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.737 0.269 . . . . 0.0 110.577 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.615 ' HB2' ' HD2' ' A' ' 54' ' ' ARG . 16.5 t70 -107.69 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.173 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -92.3 109.09 20.46 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.04 151.93 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.22 167.82 39.56 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.654 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -115.25 128.7 56.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.602 0.239 . . . . 0.0 110.71 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -75.33 102.78 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -41.31 18.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 -172.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -146.02 115.59 7.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG21 HG22 ' A' ' 79' ' ' ILE . 57.7 t -124.79 120.9 59.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.754 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 77' ' ' LYS . 4.5 p -125.96 127.71 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 43.1 tt0 -57.62 134.99 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.311 -171.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 50.79 22.5 1.16 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.945 1.298 . . . . 0.0 113.609 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HB2' HG11 ' A' ' 74' ' ' VAL . 99.2 mttt -124.49 -68.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.164 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -158.49 153.52 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.137 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 HG22 HG21 ' A' ' 73' ' ' VAL . 48.6 mt -122.46 112.99 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.535 175.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -108.89 110.53 21.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -132.83 143.18 49.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.23 0.538 . . . . 0.0 111.602 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.24 126.51 51.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -124.83 111.1 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.346 0.593 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.16 -112.88 5.36 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.972 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -101.04 -7.25 23.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -110.48 167.74 9.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.264 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 t -141.66 144.67 34.25 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.95 129.43 43.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.55 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HG2' ' OE2' ' A' ' 91' ' ' GLU . 27.6 ttpp -113.24 111.49 22.13 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.689 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.71 125.31 53.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.349 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.433 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 2.6 mp0 -104.78 135.39 46.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.01 101.96 11.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 171.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 75.6 mt -93.53 111.22 22.84 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 -174.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.23 106.12 4.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.556 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -107.6 162.1 20.92 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.158 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -67.46 -16.76 48.21 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.153 1.902 . . . . 0.0 112.409 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -106.61 -1.17 23.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.532 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.5 -145.83 14.47 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -128.28 121.09 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.038 0.447 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 20.7 m -89.82 113.86 25.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.786 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.7 t -82.9 105.36 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.523 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 47.7 ttt180 -110.3 107.34 17.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.82 111.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.7 m -109.55 104.8 13.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.431 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -127.94 158.84 36.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.841 0.353 . . . . 0.0 111.304 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.72 125.32 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.76 136.5 49.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.092 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.92 127.06 31.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.8 p -73.05 -6.74 47.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.986 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.45 -20.29 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.265 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -112.63 157.97 38.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.867 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.67 116.99 3.62 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.37 2.046 . . . . 0.0 112.193 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.485 HG13 HD12 ' A' ' 3' ' ' ILE . 95.6 t -59.71 -42.77 89.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.6 -43.41 84.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.48 -43.03 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.85 -40.8 95.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.3 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.29 -54.57 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.972 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.77 -37.31 81.43 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.456 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.3 -58.16 15.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.227 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -67.62 -38.68 84.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -62.88 -41.64 99.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.71 -40.71 95.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.679 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.61 -39.08 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.242 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.44 -40.63 97.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -63.19 -45.97 89.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.495 177.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.75 -44.94 95.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.898 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' PHE . . . . . 0.405 ' O ' HG21 ' A' ' 131' ' ' VAL . 57.3 t80 -60.38 -52.27 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.963 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -61.9 -38.83 89.83 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.906 -175.144 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.13 -37.78 81.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 0.0 110.12 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' HIS . . . . . 0.439 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 52.8 t60 -58.64 -34.07 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 127' ' ' PHE . 47.4 t -80.84 -45.36 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 58.6 mt-10 -66.29 -29.93 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.295 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 p -75.92 -8.49 57.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -110.31 13.92 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.019 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.507 HD22 ' HB1' ' A' ' 11' ' ' ALA . 97.2 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.935 0.398 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -123.36 120.92 34.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.474 HD12 HG11 ' A' ' 113' ' ' VAL . 63.4 mt -99.06 132.02 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -114.14 113.25 24.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.257 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.4 m -113.98 136.1 51.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.495 176.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 8.7 pt-20 -146.81 157.67 43.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.979 0.418 . . . . 0.0 111.907 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -161.36 146.17 13.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.602 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 12.4 m -97.65 124.39 41.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.982 0.42 . . . . 0.0 111.324 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.6 t -97.55 132.79 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.11 11.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.29 149.72 39.61 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.446 -178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.05 146.62 95.64 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.626 2.217 . . . . 0.0 112.253 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 ' HB ' HG21 ' A' ' 99' ' ' VAL . 12.2 p -60.24 -26.59 37.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.592 ' HA2' HD22 ' A' ' 76' ' ' ASN . . . -57.24 -37.36 80.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.322 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.87 -39.71 17.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.665 0.269 . . . . 0.0 110.541 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.55 -42.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.472 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 63.7 t-105 -56.42 -49.42 74.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.017 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -74.35 -31.88 62.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.398 -174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.67 -23.5 63.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -93.1 -9.37 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.879 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 p -117.57 -22.07 8.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.2 m -83.65 114.34 53.0 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.54 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.5 Cg_exo -52.46 -35.9 67.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.376 2.718 . . . . 0.0 113.305 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.19 -36.01 82.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.249 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -33.44 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.725 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.546 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 75.1 mt -56.08 -44.84 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.212 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 63.5 pttt -68.02 -6.35 22.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.881 0.372 . . . . 0.0 111.396 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.9 -22.64 20.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.106 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.546 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 43.6 p-90 -121.14 -5.66 9.47 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.42 71.46 3.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.4 0.619 . . . . 0.0 110.566 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.65 136.77 7.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.572 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.37 -25.41 57.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.262 0.553 . . . . 0.0 110.746 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -157.33 172.85 17.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -65.23 -23.42 67.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.836 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.48 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.3 m-20 -62.64 -22.01 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.319 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 76.4 m95 -107.59 155.41 20.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.572 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -155.7 150.1 25.89 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.452 ' HB ' ' HB2' ' A' ' 27' ' ' LYS . 5.8 m -91.77 126.58 36.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 p -92.91 -38.88 11.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.95 151.3 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.72 115.34 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 m -115.34 113.54 23.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.827 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.54 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 65.8 t -131.32 115.96 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.904 0.383 . . . . 0.0 111.37 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -104.21 108.27 19.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.8 tp -87.06 102.07 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.391 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -175.23 161.62 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.377 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.03 107.32 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.6 -2.8 32.38 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 159.73 30.86 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.88 156.4 39.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 117.208 0.504 . . . . 0.0 111.241 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.512 ' HB2' HG21 ' A' ' 43' ' ' VAL . 45.6 p90 -127.25 144.51 51.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -141.04 107.63 5.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.213 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -114.64 132.75 56.27 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -98.05 104.09 16.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.2 ttm -100.47 114.19 27.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -124.95 152.08 44.61 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -98.62 150.0 22.2 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.002 0.429 . . . . 0.0 111.011 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.5 ptpt -78.91 -7.88 58.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.652 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.04 -22.04 64.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.557 0.218 . . . . 0.0 110.825 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.39 54.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.52 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.8 t -107.09 -45.26 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 117.128 0.464 . . . . 0.0 110.828 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.454 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 91.7 mmm -79.57 133.58 36.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.428 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.36 141.73 4.42 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.867 177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -153.52 168.28 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.913 0.356 . . . . 0.0 110.781 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.06 130.52 55.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -104.99 106.5 17.02 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -123.36 141.83 51.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.233 -176.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -158.42 163.36 32.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.754 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -112.95 132.46 55.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -80.31 105.49 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.152 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -84.38 -40.3 18.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.835 0.35 . . . . 0.0 110.696 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.482 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 53.4 mmtt -133.59 126.56 31.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.5 0.667 . . . . 0.0 111.945 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.5 108.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.765 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.562 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 47.4 t -108.95 109.19 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 41.7 tt0 -60.07 124.68 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.993 -172.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.592 HD22 ' HA2' ' A' ' 14' ' ' GLY . 12.0 m120 65.41 24.71 11.99 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.128 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.481 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.1 tttt -139.88 -64.68 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.129 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 10.3 ptm85 -150.67 139.0 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.245 0.545 . . . . 0.0 111.5 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mt -118.23 107.73 22.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.807 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 49.8 mt-10 -106.97 112.67 25.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -134.82 164.94 26.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 0.0 111.575 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.76 120.83 35.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.915 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -111.38 108.1 17.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.529 0.68 . . . . 0.0 110.22 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.32 -111.62 3.56 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.244 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -109.72 -0.13 18.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -105.07 163.82 12.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.387 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 7.3 t -136.66 146.09 45.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.924 0.393 . . . . 0.0 110.556 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.27 142.6 30.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.203 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 10.0 ptpp? -118.8 125.57 49.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.332 0.587 . . . . 0.0 110.221 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.38 110.14 26.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.526 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -107.07 133.67 51.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.868 0.366 . . . . 0.0 110.149 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -99.59 103.82 15.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.541 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.6 mt -88.75 115.62 26.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.955 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.99 106.68 12.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.348 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 160.76 25.29 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.99 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 24.0 Cg_endo -62.82 -22.88 74.23 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.498 2.132 . . . . 0.0 112.904 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' HG3' HG21 ' A' ' 8' ' ' THR . 7.9 pt20 -92.76 -9.88 38.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.244 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.04 -163.47 28.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.727 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.463 HG21 ' HB ' ' A' ' 13' ' ' VAL . 42.2 t -104.66 119.49 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 117.099 0.449 . . . . 0.0 111.281 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.9 m -85.25 110.28 18.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.257 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.554 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 45.7 t -81.24 106.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.569 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -104.05 113.38 26.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.505 -176.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.1 108.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -104.03 116.71 32.72 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -130.69 153.69 48.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.414 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.6 134.24 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.927 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.69 146.85 52.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -73.98 152.08 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 p -95.12 -21.32 18.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.363 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.74 -5.85 57.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.526 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.46 147.27 36.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.616 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.574 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 39.4 Cg_exo -57.63 106.19 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.613 2.209 . . . . 0.0 112.129 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.474 HG11 HD12 ' A' ' 3' ' ' ILE . 86.7 t -55.64 -43.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.249 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.99 -41.62 92.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -63.15 -41.91 99.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.574 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 30.2 mt-30 -67.34 -48.21 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.22 0.534 . . . . 0.0 109.823 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.18 -52.12 67.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.556 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -67.12 -28.64 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.031 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.56 -52.71 49.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.584 175.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.455 ' HB3' HG21 ' A' ' 5' ' ' VAL . 47.0 m95 -66.55 -37.41 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.26 -41.71 97.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.97 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.6 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 73.6 mt -61.05 -42.64 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.8 mt -62.8 -37.09 85.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.24 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -62.94 -43.02 99.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.492 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.416 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 52.6 t30 -67.44 -44.94 77.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.346 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 131' ' ' VAL . 55.0 t80 -59.14 -50.26 74.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.679 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -50.15 -56.63 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.161 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmt180 -65.0 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.953 -176.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -62.75 -39.6 94.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 127' ' ' PHE . 46.1 t -70.81 -40.05 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 0.0 110.337 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -74.24 -25.92 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.653 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -87.32 -16.04 36.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.935 0.398 . . . . 0.0 110.168 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -77.21 -15.24 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.676 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.31 108.46 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.822 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -83.24 148.09 27.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.982 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -138.9 100.75 4.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.501 0.667 . . . . 0.0 111.025 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.52 -176.19 3.32 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -76.77 72.81 3.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.9 t60 51.14 -106.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.241 -169.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.0 t60 63.89 -60.06 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.36 0.664 . . . . 0.0 111.983 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.23 -176.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HB3' ' HB1' ' A' ' 107' ' ' ALA . 9.3 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.098 0.475 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.3 98.58 5.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.267 0.556 . . . . 0.0 109.954 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.3 mt -93.67 135.25 28.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 m -121.24 111.31 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.049 0.452 . . . . 0.0 110.327 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.42 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.8 m -113.66 142.07 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.81 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.3 pt-20 -142.95 164.64 29.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 0.0 111.542 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -159.4 151.5 20.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.973 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 51.4 m -110.88 116.68 31.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -93.68 147.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.455 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.37 11.83 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.157 0.503 . . . . 0.0 111.222 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.59 150.03 38.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 -178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.8 152.91 53.74 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.737 2.291 . . . . 0.0 112.138 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.53 -27.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.43 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.3 -40.94 98.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.586 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HZ3' HD22 ' A' ' 135' ' ' LEU . 82.6 mttt -80.52 -36.88 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.624 -0.339 . . . . 0.0 110.363 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 HG13 ' A' ' 131' ' ' VAL . 41.2 t -65.28 -42.12 93.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.588 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 54.9 t-105 -62.02 -51.75 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.947 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.91 -41.46 95.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.032 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.26 -31.77 73.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.845 0.355 . . . . 0.0 111.459 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.96 -17.53 37.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -108.12 -30.12 8.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . 27.2 m -73.36 116.7 53.76 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 110.619 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 10.9 Cg_endo -54.53 -45.26 42.33 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.255 2.637 . . . . 0.0 112.829 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.463 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 48.5 mm-40 -70.2 -15.42 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.421 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 4.2 t70 -89.58 -43.61 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.657 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 81.8 mt -52.43 -43.2 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 55.5 mtmt -61.44 -12.24 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -97.39 -8.01 30.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.657 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 60.5 p-90 -131.73 -15.17 3.11 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.92 94.31 2.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.67 111.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.069 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.37 -6.43 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.35 0.595 . . . . 0.0 110.358 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -161.42 150.96 16.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.027 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.36 -1.3 40.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 110.765 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.82 -16.03 60.15 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.16 0.505 . . . . 0.0 109.751 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -111.82 152.15 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.298 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.559 ' CE1' HG21 ' A' ' 39' ' ' THR . 2.5 p80 -141.95 135.49 29.43 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -83.85 110.97 18.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.559 HG21 ' CE1' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -83.41 -41.77 17.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.549 -174.123 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.84 156.84 42.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.77 118.13 4.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.773 0.32 . . . . 0.0 110.97 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.4 m -112.94 115.0 27.74 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.4 t -125.53 122.49 62.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.918 -176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -111.2 96.84 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.99 101.31 7.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.751 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -175.73 164.09 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.966 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.8 103.59 2.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.67 -3.86 29.21 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.471 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 151.54 23.34 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.07 161.21 19.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.082 0.467 . . . . 0.0 110.969 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -130.33 144.11 51.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.93 175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -143.75 122.2 12.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.157 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 t -128.15 136.35 51.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -89.4 105.2 17.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.296 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -104.85 113.79 27.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -122.88 149.45 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.68 142.83 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.38 -26.95 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.72 0.295 . . . . 0.0 111.695 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -87.32 -5.09 59.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.43 4.9 70.97 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.634 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 p -68.3 -40.94 81.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.34 0.59 . . . . 0.0 111.169 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mtp -133.32 162.85 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.437 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.32 138.25 2.4 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.29 163.18 39.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.197 0.523 . . . . 0.0 111.232 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.43 100.55 13.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.662 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -75.82 105.7 7.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.03 142.96 42.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.88 175.77 39.99 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -124.62 137.34 54.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.13 0.465 . . . . 0.0 111.202 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -78.8 98.16 6.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -90.48 -23.67 20.91 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.565 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -148.14 114.79 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.948 0.404 . . . . 0.0 109.935 -177.025 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.431 HG22 HG22 ' A' ' 79' ' ' ILE . 57.7 t -139.37 133.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -174.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG12 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -132.54 111.39 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.588 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 32.3 tt0 -60.01 135.62 57.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.385 -170.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 72.0 3.19 4.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.326 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.807 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 10.2 mmpt? -113.81 -77.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.612 0.244 . . . . 0.0 110.906 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -158.16 163.35 37.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.431 HG22 HG22 ' A' ' 73' ' ' VAL . 60.2 mt -127.62 126.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.677 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.565 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.2 mt-10 -113.65 110.48 20.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -119.78 146.53 45.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 110.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.85 145.44 45.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 111.484 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.61 104.65 6.15 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.661 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.45 -121.82 9.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.155 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -103.64 -2.66 26.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.033 0.444 . . . . 0.0 110.8 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -107.08 152.05 24.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.513 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 t -139.37 155.95 47.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -174.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.32 130.16 34.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.554 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 104' ' ' SER . 14.8 ptpt -113.78 131.1 56.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG13 HG23 ' A' ' 103' ' ' VAL . 46.5 t -111.95 111.84 37.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.63 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -106.52 134.17 50.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.873 0.368 . . . . 0.0 110.451 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -105.81 103.51 13.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.7 mt -108.28 134.22 51.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.06 114.94 15.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.276 0.56 . . . . 0.0 110.598 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -106.84 160.15 27.34 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.564 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 12.8 Cg_endo -58.1 -24.27 65.33 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.235 1.957 . . . . 0.0 112.371 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.88 5.37 40.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.71 -130.35 4.51 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.48 118.12 54.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.945 0.402 . . . . 0.0 110.612 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 58.4 m -88.43 110.25 20.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.202 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -85.18 105.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.258 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -106.48 110.28 22.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.096 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.443 HG23 HG13 ' A' ' 90' ' ' VAL . 47.3 t -107.11 111.92 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.799 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.439 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 10.9 t -107.43 118.42 36.69 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 52.9 p90 -127.59 154.46 45.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 111.213 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -87.14 116.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.778 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 1' ' ' MET . . . -89.15 146.72 24.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.113 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.87 130.06 42.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.463 HG22 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.25 1.74 31.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -170.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.97 7.8 43.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.207 0.527 . . . . 0.0 111.043 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.41 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 70.5 m-85 -127.97 148.72 68.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.523 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 52.9 Cg_exo -52.72 120.25 7.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.403 2.069 . . . . 0.0 112.048 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.41 HG12 HD13 ' A' ' 3' ' ' ILE . 48.8 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.405 -174.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 0.9 OUTLIER -68.71 -33.92 74.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -177.566 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 109.956 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.523 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 50.4 mt-30 -68.37 -50.21 54.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -56.43 -48.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.525 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mm-40 -68.69 -37.97 79.97 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.9 -53.36 46.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.405 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.475 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 80.5 m95 -60.03 -40.13 88.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.703 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -62.78 -44.23 96.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.327 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.33 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.576 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 119' ' ' GLY . 78.4 mt -59.16 -45.14 92.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.591 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -41.16 99.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.731 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -67.99 -42.0 81.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.822 0.344 . . . . 0.0 110.603 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -63.97 -39.32 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.534 ' O ' HG22 ' A' ' 131' ' ' VAL . 68.7 t80 -60.86 -50.88 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.576 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.574 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 59.6 tttp -52.61 -53.27 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.294 0.372 . . . . 0.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -57.66 -33.62 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 110.857 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -75.05 -29.14 60.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.055 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.534 HG22 ' O ' ' A' ' 127' ' ' PHE . 40.3 t -82.13 -35.03 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 75.1 mm-40 -59.79 -36.75 77.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 109.953 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 p -81.24 3.22 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.394 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -95.75 3.14 54.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.451 0.643 . . . . 0.0 109.454 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.453 HD22 ' HZ3' ' A' ' 15' ' ' LYS . 90.5 mt -99.89 99.1 9.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.302 174.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.739 ' HB3' ' HA ' ' A' ' 140' ' ' HIS . 3.0 tm-20 -118.55 106.17 12.38 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.116 -173.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 62.08 -86.07 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -173.17 19.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.686 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.06 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.739 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 5.3 t-80 61.28 -173.76 0.13 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -171.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -150.32 149.49 30.19 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.814 -0.553 . . . . 0.0 110.823 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 167.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.53 132.29 56.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.189 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt -108.41 134.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.767 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 m -105.8 111.24 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.843 0.354 . . . . 0.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.4 135.12 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 6.5 pt-20 -150.51 146.09 26.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.341 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.06 138.02 33.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.967 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.5 m -92.52 112.45 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.86 0.362 . . . . 0.0 110.687 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.25 144.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.874 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.47 11.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.423 ' HB3' HD23 ' A' ' 135' ' ' LEU . . . -111.06 151.16 42.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.786 -0.188 . . . . 0.0 110.833 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.437 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.6 Cg_exo -70.54 164.58 34.81 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.12 2.547 . . . . 0.0 112.044 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 99' ' ' VAL . 12.0 p -56.83 -32.86 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -174.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.61 50.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.943 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 66.9 mttm -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.688 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.33 -51.19 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.696 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.499 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 28.1 t-105 -53.62 -46.67 70.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.832 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.17 -49.99 75.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.937 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.92 -20.15 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.746 0.308 . . . . 0.0 111.753 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.489 ' HB ' HD21 ' A' ' 45' ' ' LEU . 20.5 p -102.95 -14.02 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -175.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.517 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.5 m -83.11 111.22 28.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 122.345 -0.222 . . . . 0.0 110.597 178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.506 ' HA ' HD13 ' A' ' 26' ' ' ILE . 14.8 Cg_endo -57.39 -27.62 76.62 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.189 2.593 . . . . 0.0 112.673 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HA ' ' OE1' ' A' ' 24' ' ' GLU . 4.4 tp10 -70.04 -43.56 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.943 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.52 -37.63 83.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.304 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.517 HG13 ' O ' ' A' ' 22' ' ' THR . 69.5 mt -54.94 -40.93 55.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.568 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 51.3 mttp -58.92 -17.29 23.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.836 0.35 . . . . 0.0 111.68 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.529 ' OE1' ' HE1' ' A' ' 130' ' ' HIS . 96.6 mt-30 -100.34 -12.24 19.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.535 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 51.5 p-90 -127.29 -9.74 5.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.583 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.05 58.24 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.427 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.19 125.56 5.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.469 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.22 62.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.257 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -146.43 160.99 41.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.02 -7.99 53.7 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.306 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -73.55 -19.76 60.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.466 0.65 . . . . 0.0 109.503 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.458 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 60.0 m95 -102.51 162.79 12.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.578 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -148.93 132.14 16.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 m -76.81 105.66 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -35.79 25.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.566 -172.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.422 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -148.69 133.54 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.121 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.6 110.44 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.939 0.4 . . . . 0.0 111.037 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -121.54 124.11 43.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.657 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.527 HG22 ' HB2' ' A' ' 51' ' ' PHE . 93.3 t -128.9 121.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.41 -174.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.67 102.35 13.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.893 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 HD21 ' HB ' ' A' ' 21' ' ' THR . 60.0 tp -80.77 91.76 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.485 0.66 . . . . 0.0 110.32 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.512 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -166.79 154.38 9.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.513 -178.846 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.33 109.29 6.74 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.56 2.59 46.99 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.512 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -93.81 153.99 21.44 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -114.17 161.89 17.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.527 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.5 p90 -134.76 147.41 50.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.845 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -139.05 117.08 11.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.217 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.422 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 23.0 t -129.79 108.6 10.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.758 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.541 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 36.9 ttp-105 -85.75 115.82 23.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.9 mtp -100.14 114.54 28.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.323 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 41.6 mt-10 -121.57 163.1 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.109 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.458 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -92.31 149.8 21.22 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.69 -15.64 63.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 111.577 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -85.42 -14.97 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.314 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.56 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.625 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.8 t -63.34 -44.66 94.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 110.738 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.0 mmm -120.54 154.68 35.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.295 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 178.78 138.56 3.23 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.854 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -163.37 142.12 8.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.691 0.281 . . . . 0.0 110.603 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.541 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 m-20 -83.61 106.13 15.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.54 107.14 9.78 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 140.62 44.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.976 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.74 166.21 30.26 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.618 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 18.1 m -132.33 130.28 40.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.754 0.277 . . . . 0.0 110.294 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -77.66 109.95 12.08 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -84.42 -30.75 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.987 0.422 . . . . 0.0 110.639 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 31.5 ttmt -149.21 136.42 19.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.107 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.42 104.31 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 ' HD2' ' A' ' 77' ' ' LYS . 23.3 t -105.66 105.52 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.1 tt0 -58.76 137.25 57.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.506 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 49.29 28.28 2.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.591 1.156 . . . . 0.0 113.001 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.543 ' HD2' HG13 ' A' ' 74' ' ' VAL . 38.7 ttmt -137.86 -68.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.157 -0.339 . . . . 0.0 111.622 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.46 ' NH1' ' HD2' ' A' ' 89' ' ' LYS . 9.3 ptp180 -149.5 143.76 25.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.224 0.535 . . . . 0.0 111.72 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.1 mt -117.37 118.57 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.735 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 52.2 mt-10 -112.97 117.55 32.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 110.076 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -140.23 153.54 46.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.403 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.193 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -113.25 102.97 10.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.398 0.618 . . . . 0.0 109.967 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.5 -113.37 4.05 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.475 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.48 -2.84 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 0.0 111.042 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.526 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 76.4 mtm180 -113.98 151.5 32.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.357 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.1 t -125.3 156.86 37.97 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.38 138.66 41.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HD2' ' NH1' ' A' ' 78' ' ' ARG . 28.7 ttpt -113.3 111.5 22.13 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG11 HG21 ' A' ' 103' ' ' VAL . 48.6 t -96.11 111.82 27.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.3 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.35 134.17 51.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.93 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.01 104.09 14.25 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.456 HD11 ' HD3' ' A' ' 102' ' ' ARG . 50.0 mt -96.26 108.4 20.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.445 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.547 ' HG2' HG23 ' A' ' 99' ' ' VAL . 29.2 mt-10 -80.52 107.27 13.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.535 0.684 . . . . 0.0 110.89 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.474 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -105.82 161.06 23.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.788 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -60.8 -19.87 63.53 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.684 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -99.83 5.13 45.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 110.822 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.35 175.97 14.25 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.969 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG23 ' HG2' ' A' ' 94' ' ' GLU . 92.4 t -91.45 123.33 43.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 0.0 110.748 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 55.8 m -94.63 115.88 28.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.232 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.53 105.59 11.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' A' ' 93' ' ' LEU . 18.4 ttt180 -105.42 107.79 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.352 -174.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.432 HG21 HG11 ' A' ' 90' ' ' VAL . 45.5 t -108.53 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.6 m -100.41 106.72 18.33 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -115.88 150.48 36.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.69 -176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.526 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 85.9 t -71.74 123.49 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.911 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.68 146.89 27.92 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.324 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 129.04 35.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.182 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.9 p -73.22 -17.39 61.35 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.912 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -94.14 6.36 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -123.18 150.68 60.51 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.895 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.56 131.0 39.96 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.567 2.178 . . . . 0.0 112.254 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.21 -37.89 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.662 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.8 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.892 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.88 -52.74 61.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.338 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.43 -41.09 96.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.69 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -69.41 -46.97 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.578 0.228 . . . . 0.0 110.808 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.49 -41.07 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.048 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.75 -51.22 60.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -67.33 -36.3 81.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.559 0.218 . . . . 0.0 111.129 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.88 -38.21 88.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 110.255 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.06 82.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.722 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 119' ' ' GLY . 74.5 mt -66.52 -42.63 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.64 -39.43 93.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.517 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 94.3 m-20 -63.14 -42.87 99.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.738 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.535 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 55.5 t30 -67.3 -41.18 85.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 0.0 109.984 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.48 -44.04 97.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.32 -47.59 81.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.703 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 41.7 mtm180 -59.6 -42.07 91.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.115 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.529 ' HE1' ' OE1' ' A' ' 28' ' ' GLN . 39.2 t60 -58.04 -40.08 80.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.929 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.57 -50.79 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.122 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.534 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 76.5 mt-10 -65.96 -32.62 74.21 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -174.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.4 t -78.68 -11.45 59.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.368 . . . . 0.0 110.35 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -100.34 -8.83 22.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.534 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 76.5 mt -64.03 -42.13 97.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.31 121.33 33.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -147.89 13.58 1.02 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.248 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -137.72 -37.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 43.88 78.8 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.108 0.963 . . . . 0.0 112.29 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -70.43 -33.93 71.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.776 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -102.79 -51.89 3.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.644 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.248 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -100.35 126.84 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.809 0.337 . . . . 0.0 111.164 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.491 HD12 HG13 ' A' ' 113' ' ' VAL . 63.2 mt -110.95 123.1 66.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -103.01 111.29 23.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.965 0.412 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -115.69 137.05 50.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.655 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -133.6 160.81 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.541 0.686 . . . . 0.0 112.487 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -151.85 119.6 6.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.829 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.616 ' O ' ' HE2' ' A' ' 128' ' ' LYS . 34.7 m -90.48 106.3 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.74 147.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.287 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 12.18 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 111.712 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 135' ' ' LEU . . . -105.04 149.95 38.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.743 -178.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.61 159.34 28.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.58 2.187 . . . . 0.0 111.918 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.68 -33.58 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.39 92.56 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.4 -38.82 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.719 0.295 . . . . 0.0 110.51 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.1 -41.71 79.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.49 -53.28 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -67.97 -37.06 81.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.436 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.061 0.458 . . . . 0.0 110.973 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -84.48 -16.15 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.208 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 p -107.61 -19.47 13.54 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.559 ' O ' HG13 ' A' ' 26' ' ' ILE . 71.7 m -79.55 109.61 12.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 122.42 -0.175 . . . . 0.0 110.935 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.44 -32.1 95.6 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.007 2.471 . . . . 0.0 113.005 -174.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.56 -45.61 82.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.48 -30.27 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.816 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 22' ' ' THR . 70.3 mt -56.04 -41.97 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 22.8 mtpp -59.41 -16.41 23.15 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.692 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -93.82 -37.41 11.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.468 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 40.2 p-90 -107.76 -10.94 15.5 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -85.71 87.92 7.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.371 0.605 . . . . 0.0 110.813 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.57 117.18 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.317 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.1 -20.44 45.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -147.0 158.78 44.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.038 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -73.03 -1.56 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.176 0.512 . . . . 0.0 111.135 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -103.88 -2.04 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.207 0.527 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -129.63 155.74 45.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.69 152.89 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.448 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 14.6 m -74.1 114.06 12.0 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -83.88 -43.57 15.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 0.0 110.838 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.84 128.35 45.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.188 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.8 124.75 22.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.572 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -138.32 113.67 9.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.917 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.406 HG21 ' HB2' ' A' ' 51' ' ' PHE . 92.4 t -109.18 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.63 101.42 12.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -84.75 93.41 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -173.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' HG2' ' HA3' ' A' ' 49' ' ' GLY . 14.9 ptp180 -163.26 155.99 18.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.31 112.31 10.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.31 -8.36 35.33 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.41 ' HA3' ' HG2' ' A' ' 46' ' ' ARG . . . -91.27 176.89 40.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.571 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.06 150.69 43.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.406 ' HB2' HG21 ' A' ' 43' ' ' VAL . 31.2 p90 -116.38 144.25 44.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 175.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -118.15 116.49 26.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.134 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -113.46 108.33 17.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 19.6 ttp180 -91.3 98.74 11.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.126 0.488 . . . . 0.0 110.345 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.52 113.92 22.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.693 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.481 ' HG2' ' CA ' ' A' ' 63' ' ' GLY . 37.6 mt-10 -127.23 157.07 40.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.63 148.27 38.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.858 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -70.59 -13.11 61.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.47 -22.81 54.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.206 0.527 . . . . 0.0 110.397 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.34 -29.72 10.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.923 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -62.09 -65.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 111.907 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.6 mtm -75.69 131.27 39.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' CA ' ' HG2' ' A' ' 56' ' ' GLU . . . -166.85 138.23 5.08 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.891 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -158.39 165.89 33.58 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.592 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 p-10 -126.28 141.94 51.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.026 0.441 . . . . 0.0 111.151 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.53 126.2 54.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.856 174.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.79 52.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.946 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.11 128.79 6.53 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.708 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -96.93 125.8 41.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.67 0.272 . . . . 0.0 110.542 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.81 109.21 14.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 p -85.17 -27.36 26.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.188 0.518 . . . . 0.0 110.715 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 32.7 ttmt -145.16 135.12 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.749 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.3 t -139.54 113.43 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.449 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 77' ' ' LYS . 5.5 p -126.83 126.97 69.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 172.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 30.1 tt0 -67.01 130.97 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.975 -168.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.511 ' ND2' ' HG2' ' A' ' 75' ' ' GLU . 59.9 m-80 64.86 20.52 12.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.662 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.478 ' HB2' HG12 ' A' ' 74' ' ' VAL . 60.2 mttm -130.64 -70.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.48 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -157.21 147.88 21.37 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.108 -176.301 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.24 111.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.686 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 2.0 mp0 -101.72 122.81 44.61 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -142.55 159.03 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 111.18 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.5 148.84 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.06 117.02 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.2 -114.15 5.6 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -173.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -108.38 -10.42 15.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.51 165.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.323 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 13.6 t -143.69 149.72 37.62 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.15 130.52 25.31 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' CB ' ' HG3' ' A' ' 80' ' ' GLU . 9.7 ptmm? -113.83 127.54 56.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 0.0 109.804 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.68 107.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.125 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.48 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 47.0 mt-10 -110.06 137.33 47.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.023 0.44 . . . . 0.0 111.176 -176.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 104.14 16.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 77.4 mt -90.84 105.23 17.68 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.986 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.71 103.94 7.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -108.76 165.76 12.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.445 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.535 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 30.7 Cg_endo -64.69 -16.2 54.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.219 1.946 . . . . 0.0 112.382 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -92.84 -14.09 28.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 143.66 -156.15 26.47 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.2 t -109.41 112.28 39.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.011 0.434 . . . . 0.0 110.572 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.585 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 30.5 m -83.46 107.86 16.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.51 105.51 11.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 -176.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.35 113.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.438 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -105.31 109.66 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -121.09 151.45 39.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.132 0.492 . . . . 0.0 110.99 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.53 115.64 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.127 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.3 147.63 22.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.367 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -80.7 136.41 36.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 p -78.46 -24.79 45.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.073 0.463 . . . . 0.0 110.933 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.72 -20.91 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.004 -178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.18 156.83 35.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.105 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.38 106.96 0.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.703 2.269 . . . . 0.0 112.209 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.491 HG13 HD12 ' A' ' 3' ' ' ILE . 84.4 t -61.78 -38.63 80.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 12.8 tp10 -57.69 -53.86 53.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.59 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -64.47 -34.96 79.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.479 -178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.64 -46.72 86.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.82 -52.45 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 76.6 mm-40 -62.6 -33.1 74.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.415 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.26 -55.31 30.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.457 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 55.2 m95 -64.15 -39.77 94.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.561 0.22 . . . . 0.0 110.985 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.84 -43.04 99.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.607 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.55 93.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 119' ' ' GLY . 79.0 mt -64.82 -42.81 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 177.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 65.3 mt -62.56 -35.81 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.636 0.255 . . . . 0.0 111.557 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -63.71 -50.33 69.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.755 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -65.98 -39.14 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.498 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.516 ' O ' HG21 ' A' ' 131' ' ' VAL . 58.0 t80 -58.75 -52.03 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.395 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.616 ' HE2' ' O ' ' A' ' 8' ' ' THR . 43.5 tttm -52.64 -56.7 13.54 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.5 mtm-85 -63.34 -28.96 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.291 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.3 -37.18 74.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.516 HG21 ' O ' ' A' ' 127' ' ' PHE . 56.3 t -71.59 -38.76 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.6 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 42.0 mm-40 -57.42 -43.3 83.68 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.709 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 30.9 t -73.88 -23.67 59.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.06 -26.47 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.523 HD13 ' HB1' ' A' ' 11' ' ' ALA . 39.9 mt -77.95 -48.5 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.957 170.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.709 ' HB3' ' HA ' ' A' ' 133' ' ' SER . 35.2 tt0 -51.59 -42.72 62.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -72.81 -13.18 61.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.592 0.234 . . . . 0.0 111.409 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -99.74 101.68 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -98.48 100.63 11.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 68.48 177.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.285 1.04 . . . . 0.0 113.468 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -157.03 -168.94 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 113.618 -1.628 . . . . 0.0 107.557 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.225 -0.893 . . . . 0.0 108.735 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG2' HG22 ' A' ' 109' ' ' THR . 15.1 tpt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.032 0.444 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -142.73 144.01 32.49 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.5 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 67.7 mt -105.04 136.13 40.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 m -108.92 110.89 22.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.224 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 m -118.04 137.52 51.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.4 pt-20 -140.66 157.98 44.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.049 0.452 . . . . 0.0 111.413 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -143.31 135.98 27.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.416 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -97.19 105.01 17.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.857 0.36 . . . . 0.0 110.631 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 t -95.66 140.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.83 12.42 13.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.041 0.448 . . . . 0.0 111.261 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB1' HD11 ' A' ' 135' ' ' LEU . . . -97.93 158.13 33.4 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.585 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.529 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 17.3 Cg_exo -65.31 153.76 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.446 2.098 . . . . 0.0 110.9 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.52 -23.25 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.317 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA2' HD22 ' A' ' 76' ' ' ASN . . . -67.11 -43.24 90.76 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.428 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -73.87 -39.56 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.588 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.81 -41.16 87.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.459 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 52.7 t-105 -59.25 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.046 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -59.3 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.795 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.26 73.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.938 0.399 . . . . 0.0 111.289 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -81.04 -17.68 49.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' HB ' HD22 ' A' ' 45' ' ' LEU . 32.6 p -113.2 3.11 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -176.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.577 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 m -101.48 99.29 10.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.506 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.471 ' HA ' HD11 ' A' ' 26' ' ' ILE . 11.8 Cg_endo -56.2 -36.88 97.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.904 2.403 . . . . 0.0 113.154 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.71 -34.51 75.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.41 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 26.1 t70 -85.58 -33.9 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.21 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 22' ' ' THR . 75.6 mt -53.51 -36.7 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.863 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.49 -13.64 2.47 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -101.15 -15.26 17.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 60.7 p-90 -131.37 2.97 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.245 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' HB2' HG23 ' A' ' 26' ' ' ILE . 3.5 t-20 -78.92 11.97 2.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.547 0.689 . . . . 0.0 110.453 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.99 110.22 22.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.07 -7.86 59.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.632 0.73 . . . . 0.0 109.485 173.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -150.42 144.62 25.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.23 -30.15 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.693 0.282 . . . . 0.0 111.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -74.12 -7.81 53.93 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -104.67 140.16 38.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.003 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -149.01 144.25 26.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.895 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 p -83.25 -41.56 18.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.098 0.475 . . . . 0.0 111.249 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.14 141.76 40.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.784 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.21 105.83 3.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -98.11 112.74 24.59 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.458 HG21 ' HB3' ' A' ' 23' ' ' PRO . 73.0 t -115.17 110.17 31.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.24 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -95.7 91.21 5.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.449 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.8 tp -78.32 93.85 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.42 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 46' ' ' ARG . 7.0 ptt180 -164.02 153.6 14.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.69 104.38 4.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.166 0.508 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.83 -5.15 18.68 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.17 -164.98 40.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.104 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.05 157.49 39.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.929 0.395 . . . . 0.0 111.303 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -127.61 146.56 50.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.267 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 t -139.44 121.48 15.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -126.85 133.7 50.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.661 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 38' ' ' THR . 19.5 mmm180 -91.46 94.39 9.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.827 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.4 mtp -90.77 113.43 25.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.35 167.13 20.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.203 -174.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.81 149.27 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -75.88 -48.4 21.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.979 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -107.68 -22.7 12.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.211 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.45 -153.49 30.29 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.605 -175.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.97 -7.57 11.95 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.403 -0.898 . . . . 0.0 110.996 -174.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.17 149.37 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.467 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.64 142.56 3.95 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.384 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -141.71 162.3 35.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.22 102.87 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.979 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -88.2 105.94 17.86 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.3 39.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.204 -174.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.09 155.26 24.23 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -101.96 124.2 47.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.917 0.358 . . . . 0.0 110.74 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.25 108.97 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -92.18 -38.75 11.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.852 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 6.2 tmtm? -142.91 124.27 14.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 66.8 t -133.0 115.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 111.191 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 77' ' ' LYS . 2.0 p -131.2 122.94 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.056 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tt0 -60.89 134.45 57.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.96 -172.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.408 HD22 ' HA2' ' A' ' 14' ' ' GLY . 14.0 m120 64.95 14.21 9.15 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.935 175.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HB3' HG12 ' A' ' 74' ' ' VAL . 2.1 tmtt? -126.13 -72.0 0.67 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.262 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.781 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 12.0 ptt180 -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 111.804 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.91 109.47 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.353 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.559 ' HG2' ' CB ' ' A' ' 89' ' ' LYS . 41.7 mt-10 -110.07 124.75 52.04 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -139.97 142.74 36.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 0.0 111.379 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -100.82 119.78 39.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.127 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -112.23 107.31 16.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.472 0.654 . . . . 0.0 109.987 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -112.87 4.24 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.914 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.53 -2.58 23.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.02 0.438 . . . . 0.0 110.612 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 -115.85 169.08 9.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.4 t -136.15 151.47 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.574 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.25 133.58 33.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.077 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.559 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 21.0 ptmt -119.32 129.0 54.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.272 0.558 . . . . 0.0 110.58 178.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.429 HG21 HG23 ' A' ' 103' ' ' VAL . 41.3 t -110.59 111.07 34.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.834 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.781 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 7.3 mt-10 -107.19 136.57 46.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.07 103.25 15.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.017 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.567 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.9 mt -85.88 106.86 17.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.048 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.16 106.76 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.48 162.9 18.25 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.865 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -59.26 -36.17 95.53 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.275 1.983 . . . . 0.0 111.971 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.41 -15.75 39.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.017 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.52 -130.28 2.29 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.605 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.97 120.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.567 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 19.3 m -88.41 103.61 16.01 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 46.4 t -82.08 105.55 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.813 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -106.56 119.07 38.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.97 0.414 . . . . 0.0 110.968 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.429 HG23 HG21 ' A' ' 90' ' ' VAL . 48.4 t -106.76 115.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.923 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -112.48 112.24 23.66 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.5 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 39.1 p90 -126.0 144.27 50.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.9 t -71.63 126.31 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.584 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.432 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -124.59 147.75 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -172.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.3 122.34 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.62 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.537 HG22 ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -75.12 -3.8 34.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.309 0.576 . . . . 0.0 110.681 174.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.59 -15.58 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.978 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 78.1 m-85 -119.41 159.78 44.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.205 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 14.7 Cg_endo -56.39 104.46 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.569 2.179 . . . . 0.0 112.538 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.462 HG12 HD12 ' A' ' 3' ' ' ILE . 62.3 t -59.89 -38.41 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.59 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.47 -43.9 80.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.329 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.37 -37.36 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.994 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.463 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.5 mt-30 -67.07 -45.86 76.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 0.0 109.688 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -55.45 -54.13 47.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.281 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.47 -32.16 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.124 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.33 -52.52 43.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.404 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -69.32 -33.68 73.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.274 . . . . 0.0 110.916 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.9 -39.26 93.26 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.64 97.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.69 -47.76 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.5 -29.91 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.07 0.462 . . . . 0.0 111.081 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.569 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 8.8 t-20 -67.15 -49.26 65.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.3 -35.55 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.128 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 131' ' ' VAL . 65.9 t80 -55.24 -49.49 71.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.304 175.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 63.2 tttp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.574 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 11.0 mmt180 -55.19 -40.78 71.14 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.501 0.667 . . . . 0.0 110.416 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.41 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 30.9 t60 -73.75 -30.62 62.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.154 -176.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 127' ' ' PHE . 47.2 t -81.35 -37.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.791 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 80.4 mm-40 -59.56 -36.7 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 176.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.3 p -79.4 2.58 21.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.409 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -99.59 -3.79 32.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.0 109.707 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.516 HD11 ' HB1' ' A' ' 11' ' ' ALA . 84.4 mt -103.83 -57.93 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.635 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.76 150.77 29.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.938 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 69.16 104.99 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.49 0.716 . . . . 0.0 110.996 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -77.18 -16.89 58.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.409 0.624 . . . . 0.0 109.493 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -96.34 103.7 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 167.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -82.4 59.87 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.468 0.651 . . . . 0.0 110.423 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -166.33 107.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.78 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 44.4 t60 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.045 179.517 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -119.8 123.02 42.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.694 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -104.52 126.28 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -112.32 115.89 29.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.581 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' HB ' ' OE1' ' A' ' 121' ' ' GLN . 17.2 m -114.34 141.46 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.76 176.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 10.1 pt-20 -145.08 148.44 33.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.572 . . . . 0.0 111.913 -175.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.487 ' OG1' ' HD3' ' A' ' 128' ' ' LYS . 15.4 t -140.63 136.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.865 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 49.3 m -100.75 112.39 24.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.029 0.442 . . . . 0.0 110.837 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -96.49 143.81 11.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 -177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.47 7.37 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 111.61 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.38 146.08 32.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.612 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.85 150.65 87.67 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.819 2.346 . . . . 0.0 112.447 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.27 -28.34 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.692 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.58 -36.53 93.34 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.591 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -82.81 -39.69 21.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.562 -0.376 . . . . 0.0 110.274 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.82 -39.3 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.47 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 56.0 t-105 -52.69 -50.35 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.502 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -79.57 -32.2 42.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.232 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.72 71.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.084 0.469 . . . . 0.0 110.902 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.32 -17.56 39.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.813 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.1 p -109.8 -3.07 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.553 ' O ' HG13 ' A' ' 26' ' ' ILE . 74.3 m -95.62 108.88 42.73 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 52.7 Cg_exo -52.02 -42.18 60.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.54 2.827 . . . . 0.0 113.423 -173.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.77 -35.07 78.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.645 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -33.84 24.25 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -52.99 -43.51 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.96 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.475 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 92.2 mttt -58.52 -18.79 32.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.691 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -98.92 -7.7 26.73 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.55 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 39.4 p-90 -127.15 -18.87 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.086 176.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -78.09 94.8 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.239 0.543 . . . . 0.0 110.613 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.86 120.35 2.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.364 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.17 -13.68 56.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.269 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB3' ' HD1' ' A' ' 36' ' ' TRP . 35.5 t -163.93 169.15 18.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -72.07 -8.58 55.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.501 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.03 -30.77 20.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.62 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.413 ' HD1' ' HB3' ' A' ' 33' ' ' SER . 80.5 m95 -93.75 140.07 30.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.857 0.36 . . . . 0.0 110.706 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.579 ' CE1' HG21 ' A' ' 39' ' ' THR . 4.3 p80 -147.44 148.1 30.91 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.328 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.475 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 9.8 m -81.49 108.48 15.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.579 HG21 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.32 -28.5 31.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.363 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.8 21.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.065 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.71 120.72 7.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.937 0.399 . . . . 0.0 110.984 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.9 m -128.74 113.23 15.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.516 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.1 t -115.7 129.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -175.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.67 102.38 10.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -85.75 94.63 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.585 -171.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -168.58 159.11 9.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.967 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.442 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 43.0 mt-10 -74.55 106.54 6.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.986 0.422 . . . . 0.0 109.967 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.97 -7.51 21.62 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -173.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.24 -170.68 41.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.823 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.28 164.97 37.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.856 0.36 . . . . 0.0 111.022 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.516 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.8 p90 -127.57 142.68 51.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.937 176.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 p -115.3 111.01 20.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.999 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.417 ' HB3' ' HB3' ' A' ' 66' ' ' PHE . 19.5 t -112.35 113.42 25.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.111 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -85.48 96.46 9.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.2 mmm -97.6 114.02 25.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.36 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.469 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 46.9 mt-10 -133.23 163.62 28.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.266 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.77 157.98 15.65 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.031 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.15 -13.37 60.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -23.11 61.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.112 0.482 . . . . 0.0 110.119 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -6.14 63.15 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.081 -0.58 . . . . 0.0 113.315 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -98.63 -55.54 2.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.309 0.554 . . . . 0.0 111.243 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.82 120.41 24.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.914 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.469 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . -165.32 141.97 7.4 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -150.57 166.49 30.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 111.311 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.35 106.31 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.823 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.417 ' HB3' ' HB3' ' A' ' 53' ' ' SER . 54.5 t80 -90.08 105.23 17.67 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.74 134.48 52.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.74 136.33 8.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.787 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 m -96.37 124.94 40.54 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -75.13 109.72 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.253 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -85.46 -40.34 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.138 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 9.1 tmtm? -152.62 129.76 11.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.188 0.518 . . . . 0.0 109.641 176.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.446 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 46.3 t -129.52 141.05 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.426 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.509 HG12 ' HB3' ' A' ' 77' ' ' LYS . 2.2 p -142.59 124.08 12.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.229 0.537 . . . . 0.0 110.365 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.4 tt0 -57.72 129.49 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.515 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.5 23.65 13.74 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.687 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.509 ' HB3' HG12 ' A' ' 74' ' ' VAL . 83.1 tttt -134.54 -69.07 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.76 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -158.49 150.99 21.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.373 0.606 . . . . 0.0 111.706 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -121.77 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.341 175.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.414 ' HG3' ' HG3' ' A' ' 89' ' ' LYS . 35.0 tt0 -112.42 123.63 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.22 142.87 48.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.73 134.47 52.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -128.21 99.01 5.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.665 0.745 . . . . 0.0 109.812 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.11 -120.94 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.697 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.45 1.68 49.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.326 . . . . 0.0 111.223 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.443 ' HG2' HG13 ' A' ' 106' ' ' VAL . 11.8 mtm180 -122.1 150.07 42.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.718 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.421 ' H ' HG11 ' A' ' 106' ' ' VAL . 11.3 t -133.72 150.63 51.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.73 134.25 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.556 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -113.39 113.12 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 178.746 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.93 109.77 22.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.881 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.82 150.06 26.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -114.28 104.37 12.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.7 mt -105.39 108.48 20.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.638 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.519 ' HG2' HG23 ' A' ' 99' ' ' VAL . 35.8 mt-10 -70.94 114.57 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.447 0.642 . . . . 0.0 111.191 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.8 159.32 29.99 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.14 174.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.436 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 10.8 Cg_endo -55.39 -28.23 62.33 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.664 2.243 . . . . 0.0 113.188 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 8' ' ' THR . 4.1 pt20 -93.17 -10.47 35.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.77 179.26 29.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.665 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 94' ' ' GLU . 57.8 t -90.2 117.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.022 0.439 . . . . 0.0 110.708 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.478 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.9 m -88.88 108.79 19.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.438 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 48.7 t -82.21 114.08 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.567 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 10.8 ttp180 -114.63 118.36 33.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.759 -173.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.3 t -103.32 107.19 21.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.7 t -101.64 107.75 19.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -124.0 148.36 47.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.443 HG13 ' HG2' ' A' ' 86' ' ' ARG . 7.6 p -78.34 119.34 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.484 0.659 . . . . 0.0 109.254 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.77 147.43 26.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.032 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -89.31 136.17 33.17 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -14.01 49.81 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.428 ' HB2' ' OE1' ' A' ' 108' ' ' GLU . 34.0 mm-40 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.206 0.527 . . . . 0.0 109.632 172.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 48.3 m-85 -82.52 139.44 44.36 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.07 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 25.3 Cg_exo -62.73 138.2 67.96 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.42 2.08 . . . . 0.0 111.808 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.07 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.05 0.452 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -54.45 -53.78 49.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.664 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.79 -43.46 85.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.5 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.17 -49.26 37.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.518 -176.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -65.59 -57.9 7.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.958 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.32 -28.36 67.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.551 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.23 -55.26 24.74 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.01 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -67.59 -35.66 79.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.421 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 47.9 tp60 -65.63 -38.51 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.515 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.94 93.7 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.889 0.376 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.67 -44.69 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.971 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.2 mt -64.64 -29.51 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.584 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.64 -52.97 47.65 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.244 0.545 . . . . 0.0 109.951 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.59 -42.59 97.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.833 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.448 ' O ' HG21 ' A' ' 131' ' ' VAL . 84.5 t80 -57.52 -55.07 39.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.764 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 129' ' ' ARG . 59.5 pttt -57.01 -48.84 77.51 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.273 -174.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.51 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 15.3 ptt180 -75.25 -23.72 57.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.748 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.531 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 59.8 t60 -69.78 -41.02 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.702 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 127' ' ' PHE . 60.6 t -68.24 -42.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.386 . . . . 0.0 110.485 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -64.2 -42.91 96.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.8 p -75.25 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.933 0.397 . . . . 0.0 110.665 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.531 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 2.4 t60 -84.75 -1.84 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.99 8.78 4.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.73 0.776 . . . . 0.0 109.002 171.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.547 ' HG3' ' H ' ' A' ' 137' ' ' HIS . 9.4 pt-20 -48.57 -67.07 0.3 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.828 -1.533 . . . . 0.0 113.716 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.547 ' H ' ' HG3' ' A' ' 136' ' ' GLU . 17.9 m-70 -129.04 172.27 11.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.992 0.425 . . . . 0.0 111.536 -170.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.67 -1.94 31.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.539 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -113.12 147.87 36.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.215 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -82.86 106.97 15.12 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.724 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -59.56 117.65 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.416 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.25 1.093 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.8 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HB2' HG22 ' A' ' 109' ' ' THR . 12.8 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.983 0.42 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -89.7 113.22 24.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.827 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.22 122.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -110.32 114.57 28.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.89 137.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.528 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 1.4 pp20? -143.71 147.84 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.149 0.5 . . . . 0.0 111.942 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 t -151.24 151.42 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.365 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 13.8 m -99.06 137.42 37.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 111.535 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.2 t -109.53 140.92 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.46 11.96 6.24 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -109.44 150.54 41.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.696 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.53 161.75 26.83 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 122.922 2.415 . . . . 0.0 112.221 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.411 ' HA ' HG22 ' A' ' 99' ' ' VAL . 10.7 p -61.48 -30.62 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.714 -173.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -33.84 85.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -81.21 -42.0 21.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.14 -48.61 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.081 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.586 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 51.5 t-105 -58.06 -50.33 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.285 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -70.56 -35.19 72.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.652 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.24 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 110.699 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -83.41 -16.24 46.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.968 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -113.17 3.28 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.529 ' O ' HG13 ' A' ' 26' ' ' ILE . 92.9 m -101.18 108.76 56.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.704 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.2 -47.58 19.21 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.567 2.844 . . . . 0.0 113.457 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.424 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 9.1 tp10 -54.88 -48.81 72.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.556 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 17.4 t70 -72.66 -38.06 67.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.784 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 22' ' ' THR . 84.3 mt -54.04 -41.71 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.397 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.713 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 10.0 mtmp? -64.67 -8.18 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.889 -176.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -97.53 -23.79 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.718 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.505 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 52.4 p-90 -119.47 -16.97 8.85 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -76.96 88.96 3.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.339 0.59 . . . . 0.0 110.934 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.9 116.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.915 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.42 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.308 0.575 . . . . 0.0 110.402 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -134.82 171.09 14.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.69 4.57 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.61 -26.69 41.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.065 0.46 . . . . 0.0 109.958 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.506 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.8 m95 -109.49 163.76 13.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.424 -172.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.436 ' HE1' HG21 ' A' ' 39' ' ' THR . 3.3 p80 -157.44 153.72 27.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.154 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.594 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 28.3 m -89.27 112.89 24.06 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.436 HG21 ' HE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.49 -35.57 27.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.987 -173.487 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.48 139.13 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.985 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -140.18 122.3 15.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.4 m -123.73 120.81 33.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.4 t -128.7 107.94 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.26 89.45 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.39 91.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.097 0.475 . . . . 0.0 110.605 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 8.8 ptm180 -172.37 153.93 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.042 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.12 120.68 11.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.01 1.3 67.44 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.766 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.431 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -99.35 160.71 19.83 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.63 161.43 27.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.366 0.583 . . . . 0.0 111.369 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -118.34 142.37 47.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.189 173.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -126.93 102.82 7.17 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.7 t -104.33 106.18 16.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 7.8 tpt180 -82.03 93.47 6.99 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.1 mtp -100.77 113.1 25.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.127 0.489 . . . . 0.0 109.964 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 54.1 mt-10 -128.14 161.52 29.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.91 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.506 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -80.41 153.59 28.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -64.36 -16.94 63.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.953 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -86.4 -16.69 36.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.14 -19.98 19.16 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.213 -0.517 . . . . 0.0 113.422 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m -64.47 -53.19 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.6 mtp -99.89 149.29 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 164.94 149.75 5.94 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.484 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -162.27 148.76 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.534 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.2 p-10 -93.96 113.75 25.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.687 0.756 . . . . 0.0 110.589 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -89.77 117.61 28.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.202 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.03 143.26 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.38 157.01 27.03 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 m -111.83 131.79 55.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.181 0.491 . . . . 0.0 111.069 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -77.59 114.32 16.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.3 p -92.65 -39.31 11.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.704 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 10.0 ttmm -132.61 130.7 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.277 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.17 107.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.977 0.417 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 77' ' ' LYS . 4.4 p -115.96 105.75 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.581 0.705 . . . . 0.0 109.311 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.586 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.3 tt0 -57.61 140.31 51.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.109 -172.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 67.46 12.05 8.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.05 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.486 ' HB2' HG12 ' A' ' 74' ' ' VAL . 68.0 mttm -128.35 -75.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.278 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.533 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 20.8 ptt180 -157.77 152.56 25.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 112.41 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.0 mt -117.05 127.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.191 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.704 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 34.4 tt0 -118.81 119.77 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE1' ' HB2' ' A' ' 88' ' ' ALA . 38.9 p90 -134.2 155.03 50.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.004 0.431 . . . . 0.0 110.851 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -121.92 137.54 54.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.913 -178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.67 107.18 9.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.465 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.31 -130.28 29.24 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.15 1.45 56.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.904 0.383 . . . . 0.0 110.997 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -103.98 166.2 10.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.8 t -147.11 151.46 36.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -140.26 125.0 18.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -113.59 117.4 31.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.273 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.421 HG13 HG23 ' A' ' 103' ' ' VAL . 48.7 t -101.87 111.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.352 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.533 ' HA ' ' HB3' ' A' ' 78' ' ' ARG . 28.3 mt-10 -106.45 134.66 49.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.63 102.66 12.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 82.9 mt -87.37 107.84 18.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.947 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 105.6 4.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -107.02 162.72 18.76 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.257 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.5 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 19.6 Cg_endo -59.82 -26.01 81.01 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.472 2.114 . . . . 0.0 112.961 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -91.89 -17.96 24.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.691 0.281 . . . . 0.0 111.532 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.27 -160.84 30.44 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 13' ' ' VAL . 58.7 t -108.14 123.71 63.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 117.366 0.583 . . . . 0.0 110.92 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.474 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 24.2 m -93.69 116.21 28.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.224 178.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.528 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.9 t -87.32 106.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.12 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.478 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 60.4 ttt-85 -105.65 111.74 24.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.166 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.421 HG23 HG13 ' A' ' 90' ' ' VAL . 46.0 t -107.16 113.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.813 0.34 . . . . 0.0 110.951 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.2 m -108.0 107.11 17.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.516 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -125.23 149.27 48.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.052 0.453 . . . . 0.0 111.429 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -86.58 114.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.306 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -119.38 149.37 41.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.371 -178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -73.3 151.05 41.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.984 0.421 . . . . 0.0 110.771 177.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.538 HG22 ' HB2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.74 -9.58 55.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.97 -37.86 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.673 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -78.33 148.16 73.62 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.09 102.3 0.08 OUTLIER 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.639 2.226 . . . . 0.0 112.478 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.6 t -55.64 -36.49 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -54.79 -52.12 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.879 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.0 -30.59 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.193 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.6 -50.77 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.349 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.97 -41.92 88.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.67 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.6 36.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.104 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -66.37 -37.08 84.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.711 0.291 . . . . 0.0 111.055 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.72 -34.25 77.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.78 97.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.91 -41.28 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.48 -43.46 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -68.16 -38.74 82.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.815 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -62.39 -46.01 90.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.476 ' O ' HG21 ' A' ' 131' ' ' VAL . 66.8 t80 -60.83 -46.64 89.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.85 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.611 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 61.1 tttp -54.08 -58.51 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.122 0.264 . . . . 0.0 110.79 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.96 -34.2 69.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.029 0.443 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.556 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 45.0 t60 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.783 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.637 ' HA ' ' HB2' ' A' ' 134' ' ' HIS . 48.4 t -80.64 -35.08 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.611 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 47.5 mm-40 -58.61 -33.54 70.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.252 0.549 . . . . 0.0 109.83 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 m -91.35 -7.78 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.637 ' HB2' ' HA ' ' A' ' 131' ' ' VAL . 0.3 OUTLIER -85.66 -13.67 47.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.967 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.83 136.45 57.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.798 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -64.0 117.4 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.564 0.697 . . . . 0.0 112.246 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 138' ' ' HIS . 51.6 p-80 -142.12 -173.1 3.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.222 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.462 ' O ' ' HB2' ' A' ' 139' ' ' HIS . 2.9 t-160 71.82 -83.75 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.462 ' HB2' ' O ' ' A' ' 138' ' ' HIS . 4.6 t60 171.45 80.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.47 104.97 7.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.054 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -116.76 99.5 7.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.048 0.452 . . . . 0.0 109.951 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 62.0 m80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.669 179.379 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -127.28 124.77 39.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.452 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 63.1 mt -102.46 143.68 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 m -125.47 112.01 15.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.219 0.533 . . . . 0.0 110.823 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.36 159.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.973 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -155.38 160.13 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.213 0.53 . . . . 0.0 111.882 -178.084 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.414 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 12.5 t -156.66 123.25 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.068 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 32.8 m -90.12 104.67 17.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.1 0.476 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 t -84.35 138.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.9 11.9 6.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 111.591 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.61 152.73 40.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.114 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.28 149.84 83.4 Favored 'Trans proline' 0 C--O 1.239 0.545 0 C-N-CA 122.699 2.266 . . . . 0.0 112.042 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.09 -27.2 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.405 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.26 83.97 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -85.11 -39.41 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.693 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.45 -43.79 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.501 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 58.4 t-105 -60.36 -47.67 85.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.062 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -73.29 -36.18 66.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.116 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.69 81.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.834 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -81.01 -10.92 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -118.36 3.87 11.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 26' ' ' ILE . 85.2 m -104.22 103.39 38.32 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.9 Cg_endo -51.48 -41.3 60.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.672 2.915 . . . . 0.0 113.605 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.88 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.569 0.224 . . . . 0.0 111.378 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.05 -39.69 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 83.7 mt -52.64 -43.71 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -56.21 -18.19 9.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.297 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -90.74 -28.12 18.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 53.0 p-90 -116.56 -12.31 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -78.39 90.38 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.254 0.55 . . . . 0.0 110.818 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.734 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.62 -36.66 12.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.8 m -118.56 143.68 46.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.52 177.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.19 -18.5 61.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.45 -8.99 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.59 ' CE3' ' HG3' ' A' ' 55' ' ' MET . 71.5 m95 -111.07 165.29 12.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.935 0.398 . . . . 0.0 110.361 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 39' ' ' THR . 2.0 p80 -163.13 148.24 11.51 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -80.07 114.8 19.25 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.429 HG21 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.75 -41.89 17.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.49 . . . . 0.0 110.796 -177.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.41 119.5 14.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.677 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.28 103.74 10.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.386 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -108.82 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.59 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 96.0 t -133.62 115.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.762 -175.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -110.02 103.19 11.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.041 0.448 . . . . 0.0 109.933 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.0 tp -76.86 102.78 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.54 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -172.98 151.56 2.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.469 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -70.92 106.7 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.04 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.41 -8.34 26.52 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -172.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.84 176.07 52.02 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.23 164.89 28.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 117.246 0.523 . . . . 0.0 111.031 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -127.78 152.23 48.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.502 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -140.69 104.09 4.65 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.634 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -106.94 110.57 22.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.767 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' NE ' ' HB2' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.8 94.37 7.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.59 ' HG3' ' CE3' ' A' ' 36' ' ' TRP . 54.9 tpp -84.76 113.6 21.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 33.4 tt0 -130.15 152.38 49.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -174.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.66 50.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -61.65 -36.67 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -75.72 -20.52 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.93 17.35 38.2 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.117 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -68.11 -60.91 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.262 0.553 . . . . 0.0 111.046 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.94 171.21 8.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.674 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.71 139.8 2.73 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.592 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.94 147.54 29.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.773 0.32 . . . . 0.0 110.331 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.14 110.26 19.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.845 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -85.95 107.1 17.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.42 147.45 42.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.429 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 162.04 34.64 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.9 m -110.41 133.88 52.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.124 0.462 . . . . 0.0 110.96 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 92.9 m-85 -75.21 104.85 5.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -83.88 -37.02 22.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.363 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -143.57 120.75 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.424 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 72.2 t -130.15 105.93 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.38 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG11 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -115.33 118.39 58.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.4 tt0 -64.77 135.09 55.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.865 -169.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 68.53 15.48 9.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.412 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.539 ' HB2' HG11 ' A' ' 74' ' ' VAL . 75.7 mmtt -125.77 -70.2 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -157.81 152.37 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 111.073 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.9 mt -118.77 108.41 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.506 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.505 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 40.9 mt-10 -105.26 110.83 23.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.781 0.324 . . . . 0.0 110.405 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 28.2 p90 -121.33 137.75 54.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.161 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -124.87 140.65 52.73 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.844 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -123.67 96.1 4.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.19 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.08 -115.7 4.38 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.041 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.58 -12.51 22.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.794 0.806 . . . . 0.0 109.765 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -105.09 125.82 51.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.681 -172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.7 t -124.04 149.6 45.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -124.19 121.02 33.95 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.505 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 33.8 ttpt -112.85 116.45 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.19 0.519 . . . . 0.0 110.948 -174.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.23 110.14 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.03 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' HG3' ' HG2' ' A' ' 89' ' ' LYS . 29.7 mt-10 -106.73 133.58 51.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.974 0.416 . . . . 0.0 110.205 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -101.0 110.79 22.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.253 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.526 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.6 mt -96.7 104.22 16.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.184 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.27 107.35 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.94 162.73 18.8 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.073 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.491 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.22 -27.89 72.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.163 1.909 . . . . 0.0 112.742 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -107.11 19.11 20.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.847 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.13 -153.6 23.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.62 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.35 112.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.673 0.273 . . . . 0.0 110.432 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.526 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 48.7 m -84.67 102.98 13.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.088 0.47 . . . . 0.0 110.12 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.7 t -82.68 106.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.884 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.9 ttp85 -106.19 119.59 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.052 0.454 . . . . 0.0 110.313 -179.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -104.02 119.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -107.87 108.17 19.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.452 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 46.2 p90 -127.51 147.79 50.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.019 0.438 . . . . 0.0 110.978 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.65 137.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.877 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.449 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -134.22 147.29 50.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.269 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.64 146.61 24.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.1 p -81.43 -10.79 59.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.45 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -66.46 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.746 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.94 152.96 38.69 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.912 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.518 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 50.7 Cg_exo -55.76 107.56 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.731 2.287 . . . . 0.0 112.536 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.2 t -54.63 -40.44 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.649 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.8 -50.2 71.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.625 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.3 -21.7 63.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.086 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.518 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 47.7 mt-30 -76.6 -48.9 17.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.53 -53.01 63.05 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.786 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.127 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.85 -53.35 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.525 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -68.65 -36.72 78.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.712 0.291 . . . . 0.0 110.868 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.31 -39.61 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.119 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.05 91.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.67 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.116 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.414 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 72.0 mt -68.53 -31.98 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.31 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.7 -45.09 79.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 63.4 t30 -70.62 -34.08 71.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.877 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.469 ' O ' HG22 ' A' ' 131' ' ' VAL . 87.6 t80 -59.34 -51.76 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.162 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -54.03 -54.33 40.73 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 5.9 ptp180 -62.51 -31.15 71.87 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.26 -39.45 28.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.238 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.539 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 96.5 t -67.55 -40.79 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.427 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -73.85 -18.74 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.032 0.444 . . . . 0.0 110.518 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -78.44 -13.38 59.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.999 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.539 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 2.4 m-70 -77.05 -19.5 57.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.042 0.449 . . . . 0.0 110.037 174.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.12 135.72 38.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.804 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 93.63 8.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.262 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -131.49 62.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 111.543 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.6 151.3 1.48 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.605 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 73.5 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.159 0.912 . . . . 0.0 110.509 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -143.89 101.35 3.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -124.06 9.59 8.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.334 0.588 . . . . 0.0 109.939 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.44 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -82.34 104.59 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.38 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -91.23 119.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.566 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 m -108.62 110.4 21.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.14 0.495 . . . . 0.0 110.749 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.07 156.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.713 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -136.23 165.81 24.89 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 110.533 -179.167 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.584 ' OG1' ' HB3' ' A' ' 124' ' ' LEU . 1.2 m -158.7 115.08 2.71 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.485 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -86.08 111.4 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.064 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.408 HG11 ' H ' ' A' ' 11' ' ' ALA . 8.2 t -101.81 141.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 174.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.44 -14.65 58.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 0.0 111.419 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.408 ' H ' HG11 ' A' ' 9' ' ' VAL . . . -76.04 145.5 77.35 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.553 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.31 160.2 46.4 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 122.856 2.37 . . . . 0.0 112.223 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.14 -27.81 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.836 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.86 -33.77 74.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.563 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.663 ' HZ1' ' HA ' ' A' ' 135' ' ' LEU . 59.7 mttt -85.64 -44.57 12.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 0.0 110.411 178.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.67 -43.85 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.238 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 63.4 t-105 -59.49 -45.88 90.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -71.31 -41.86 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.39 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.403 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 22.3 t80 -79.19 -16.97 55.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.206 -176.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -112.26 -7.49 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.565 ' O ' HG13 ' A' ' 26' ' ' ILE . 41.7 m -96.08 111.75 57.32 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.429 -0.169 . . . . 0.0 110.943 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 17.7 Cg_endo -56.56 -36.31 97.76 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.143 2.562 . . . . 0.0 112.885 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.55 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.972 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.74 -34.72 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.072 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 22' ' ' THR . 71.2 mt -54.9 -39.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.55 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 59.3 mtmt -61.25 -10.49 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -98.64 -35.09 10.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.508 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 53.5 p-90 -105.44 -10.77 16.74 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -76.27 -3.01 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.325 0.584 . . . . 0.0 110.716 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.32 117.0 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.19 68.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.056 0.455 . . . . 0.0 111.106 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -153.81 164.84 37.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.79 -33.81 68.95 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -76.93 -6.92 54.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -116.95 148.72 41.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.439 ' HD2' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -148.04 154.16 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 0.0 111.399 -179.362 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.488 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 11.5 m -90.3 108.67 19.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -29.06 31.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -172.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.43 21.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.046 178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.21 18.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.875 0.369 . . . . 0.0 110.959 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.8 m -135.17 118.84 17.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.489 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 92.1 t -123.45 132.65 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -172.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -122.02 102.08 7.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -84.29 97.69 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.861 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -172.75 159.43 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.539 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.551 ' HG2' ' HD3' ' A' ' 72' ' ' LYS . 2.2 mp0 -68.2 104.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.0 -4.13 25.61 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.691 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.65 148.6 19.05 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -113.33 161.8 16.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.089 0.471 . . . . 0.0 111.169 -177.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.7 p90 -131.36 142.42 50.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.461 174.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -120.45 125.8 48.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 t -125.21 118.03 25.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 7.3 tpt180 -86.22 93.49 9.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.775 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 ttm -97.65 113.51 25.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' O ' ' HD2' ' A' ' 37' ' ' HIS . 46.1 mt-10 -135.17 165.6 25.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.19 144.73 26.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -86.44 -29.19 23.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.402 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.07 -22.63 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.533 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -140.05 -141.93 4.12 Favored Glycine 0 N--CA 1.437 -1.284 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.166 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -115.95 -11.67 11.46 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.552 -0.324 . . . . 0.0 111.298 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ttt -57.99 125.66 24.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.99 166.82 37.23 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -149.07 153.72 38.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.064 0.459 . . . . 0.0 110.963 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.07 100.57 13.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.624 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -92.54 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.525 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.68 147.58 49.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -155.17 150.51 22.02 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.82 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 45.9 m -112.06 130.32 55.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 110.893 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -71.14 121.3 18.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -85.63 -38.68 18.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 6.2 mmtt -154.31 128.84 9.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.367 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -126.78 111.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.79 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.0 p -110.72 121.91 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tt0 -66.38 132.47 48.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.097 -167.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 m120 67.26 18.5 10.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.835 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.543 ' HB2' HG13 ' A' ' 74' ' ' VAL . 25.5 mmtp -128.49 -73.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.625 0.25 . . . . 0.0 111.257 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -153.24 149.22 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.473 . . . . 0.0 111.012 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -116.54 115.4 48.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.562 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 44.0 mt-10 -111.48 117.7 33.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.892 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.92 150.38 49.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -114.56 116.91 29.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.371 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.422 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 20.3 p90 -101.47 109.13 20.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.204 0.526 . . . . 0.0 109.965 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -115.24 7.54 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.253 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -98.64 0.84 45.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.738 0.304 . . . . 0.0 111.032 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.5 ' HG2' HG11 ' A' ' 106' ' ' VAL . 7.8 mtm180 -118.12 179.28 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 12.4 t -153.28 156.63 38.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.953 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.16 139.27 41.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.172 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.489 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 19.6 ttmm -112.8 111.66 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.11 112.46 39.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.335 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HB2' ' HB3' ' A' ' 102' ' ' ARG . 38.7 mt-10 -106.87 136.53 46.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.393 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.77 102.91 13.08 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.34 103.84 13.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.225 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.528 ' HG2' HG21 ' A' ' 99' ' ' VAL . 46.3 mt-10 -66.55 119.52 11.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.404 0.621 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -106.41 164.99 13.77 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.645 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.516 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 19.0 Cg_endo -60.39 -17.83 49.7 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.264 1.976 . . . . 0.0 112.408 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.09 3.94 26.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.689 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.32 -132.63 4.55 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.538 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.528 HG21 ' HG2' ' A' ' 94' ' ' GLU . 97.9 t -132.28 127.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.918 0.39 . . . . 0.0 110.288 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.7 m -93.21 113.67 25.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.344 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.1 t -84.36 107.71 15.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 37.6 ttt180 -99.99 109.25 21.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.993 -176.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -109.66 107.46 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.907 0.384 . . . . 0.0 110.744 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 t -111.23 106.24 15.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -120.42 151.43 39.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.169 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.5 HG11 ' HG2' ' A' ' 86' ' ' ARG . 4.9 p -84.55 113.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.715 0.769 . . . . 0.0 110.235 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -107.49 147.81 30.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.868 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -75.97 143.01 41.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.958 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.5 1.54 41.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.255 0.55 . . . . 0.0 110.548 173.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -75.41 -23.66 57.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.688 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -110.34 149.42 40.15 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.985 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 130.12 33.97 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.459 2.106 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.45 -40.21 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.2 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.461 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 mp0 -55.39 -53.59 54.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.598 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.56 -45.3 93.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.682 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.85 -39.33 93.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.61 -51.39 62.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 -33.99 77.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.358 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.3 47.42 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.999 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -70.25 -33.85 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.57 -40.86 98.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.446 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.56 -42.42 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.584 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 36.9 mt -64.64 -35.42 80.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.5 -39.31 85.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.754 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 43.6 t30 -69.19 -42.62 75.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.511 ' O ' HG22 ' A' ' 131' ' ' VAL . 92.5 t80 -55.39 -51.71 65.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.582 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.482 ' CE ' HG22 ' A' ' 7' ' ' THR . 39.4 ttmt -50.29 -53.11 30.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -67.37 -35.94 80.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.1 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -71.54 -33.08 68.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.475 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 127' ' ' PHE . 47.9 t -78.75 -33.1 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -27.06 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.294 0.569 . . . . 0.0 110.112 171.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.5 m -84.4 5.36 27.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -110.37 13.46 22.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.136 0.493 . . . . 0.0 110.082 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.663 ' HA ' ' HZ1' ' A' ' 15' ' ' LYS . 87.7 mt -88.64 145.87 25.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.232 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -100.54 149.61 23.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.371 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -74.67 155.73 37.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 166.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.16 -83.25 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -169.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.524 ' O ' ' HB2' ' A' ' 140' ' ' HIS . 60.6 t60 51.59 -92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -167.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . 0.524 ' HB2' ' O ' ' A' ' 139' ' ' HIS . 2.5 t-160 169.36 93.72 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.95 90.85 2.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.785 0.802 . . . . 0.0 110.509 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.403 -177.759 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -115.15 137.22 52.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.199 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.407 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.1 mt -106.11 110.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.0 m -98.66 110.55 23.13 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.253 0.549 . . . . 0.0 110.536 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 120' ' ' TRP . 15.6 m -116.17 145.23 22.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.376 176.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 9.6 pt-20 -151.3 153.55 35.03 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.208 0.527 . . . . 0.0 111.48 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -144.84 141.17 28.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.257 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 18.0 m -101.52 111.99 24.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.693 0.283 . . . . 0.0 110.736 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.1 t -98.39 130.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.066 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -3.84 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . . . -84.09 152.33 61.73 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.51 162.2 35.0 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.426 2.084 . . . . 0.0 111.785 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.18 -24.22 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.352 -175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.35 -43.31 98.75 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.569 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 67.2 mttm -72.55 -44.45 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.162 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.01 -48.15 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.342 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -57.49 -44.52 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.98 0.419 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -73.74 -44.06 57.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.372 -173.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.19 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 111.674 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -86.37 -21.99 26.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.706 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -104.01 -25.22 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.461 ' O ' HG13 ' A' ' 26' ' ' ILE . 56.5 m -72.31 114.76 32.45 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.46 0.172 . . . . 0.0 110.838 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.511 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.2 Cg_exo -54.08 -35.67 82.42 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.176 2.584 . . . . 0.0 113.175 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.27 -37.13 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.5 -40.0 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 22' ' ' THR . 74.8 mt -53.2 -44.51 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.171 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.7 mtmt -65.77 -8.15 19.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.754 0.311 . . . . 0.0 111.829 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -94.66 -40.0 10.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.488 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 46.3 p-90 -106.88 -17.87 14.08 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -81.08 93.71 6.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.126 0.489 . . . . 0.0 110.912 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.87 122.73 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.762 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.26 60.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.23 0.538 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -153.61 163.1 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.616 ' O ' ' HE2' ' A' ' 58' ' ' LYS . 16.2 t70 -64.64 -30.57 71.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 0.0 110.437 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.28 -22.67 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.128 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -107.27 156.19 19.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.251 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.69 156.36 36.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.243 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.548 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 32.7 m -86.8 113.13 22.36 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -41.44 19.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.215 0.531 . . . . 0.0 110.873 -173.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.32 120.34 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.65 112.91 21.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.2 m -112.05 113.31 25.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.768 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.511 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 75.4 t -125.32 116.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.152 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -102.48 91.37 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 104.23 6.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.631 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 46' ' ' ARG . 19.7 ptt-85 -169.28 160.84 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.606 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.31 113.02 11.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.59 -2.76 39.38 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.67 173.1 39.81 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.666 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.6 35.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.008 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -137.3 154.06 50.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.001 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -139.95 117.03 11.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -118.31 120.83 38.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.65 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 56' ' ' GLU . 18.1 mmm180 -83.55 98.09 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 45.9 ttm -96.57 111.93 23.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.503 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 38.5 mt-10 -135.8 164.29 28.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.963 0.411 . . . . 0.0 110.607 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.86 156.57 24.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.616 ' HE2' ' O ' ' A' ' 34' ' ' ASP . 65.2 mttm -53.73 -47.99 70.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.838 0.351 . . . . 0.0 111.509 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.31 -12.59 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.103 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.91 0.19 89.65 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.648 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 m -56.17 -45.06 79.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.0 mtp -122.42 156.58 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.588 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.503 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . 163.92 139.53 2.66 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.974 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -141.81 162.39 35.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.665 0.269 . . . . 0.0 110.332 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.7 113.26 26.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 110.218 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -90.19 107.13 18.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.97 136.8 55.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.98 172.34 31.99 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.842 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -116.52 131.1 57.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.531 0.205 . . . . 0.0 110.642 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -77.12 105.78 8.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -90.94 -13.07 34.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.818 0.342 . . . . 0.0 111.331 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.904 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -147.21 117.63 7.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 176.846 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.01 106.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.429 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.489 HG12 ' HB3' ' A' ' 77' ' ' LYS . 2.5 p -128.92 118.66 47.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.484 0.659 . . . . 0.0 110.166 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.45 136.7 58.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.974 -172.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.04 6.46 5.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.442 175.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HB3' HG12 ' A' ' 74' ' ' VAL . 57.2 tttp -120.69 -76.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.545 -177.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.474 HH21 ' HD3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -158.82 165.09 35.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.927 0.394 . . . . 0.0 111.878 -173.491 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -132.99 128.16 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.162 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.904 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.9 mt-10 -117.32 130.55 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.67 143.19 34.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.466 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.66 144.95 44.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.578 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -135.96 99.56 4.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 109.679 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.44 -113.52 5.38 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.145 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.1 -28.58 19.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.07 0.462 . . . . 0.0 110.785 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.483 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 8.3 mpt_? -98.19 151.63 20.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 -172.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.6 t -137.22 147.9 46.14 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.78 132.06 55.51 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.533 ' HE2' ' OE2' ' A' ' 80' ' ' GLU . 38.7 ttmt -112.8 111.03 21.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.057 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.5 HG11 HG23 ' A' ' 103' ' ' VAL . 44.8 t -110.21 111.69 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.095 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.91 134.77 54.35 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.33 104.1 16.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -104.17 106.6 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.356 -175.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 42.3 tt0 -74.8 108.77 7.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.22 0.534 . . . . 0.0 110.827 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.91 166.94 10.21 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.75 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 34.9 Cg_endo -66.37 -8.75 21.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.29 1.993 . . . . 0.0 111.78 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.9 -4.44 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.968 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.94 16.34 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 61.9 t -79.26 115.97 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.181 0.515 . . . . 0.0 109.98 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.0 m -90.48 108.37 19.75 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.359 -178.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.8 t -82.6 105.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -105.07 116.48 32.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.322 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.5 HG23 HG11 ' A' ' 90' ' ' VAL . 48.3 t -112.91 110.13 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -112.38 112.83 24.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.407 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 44.5 p90 -122.0 150.43 42.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -176.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.7 122.41 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.841 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.402 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -134.4 147.24 50.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 -175.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.45 ' CD ' ' HE ' ' A' ' 86' ' ' ARG . 4.9 mp0 -78.84 146.32 33.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -91.17 -13.44 32.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 108' ' ' GLU . 1.6 pm0 -71.39 -29.57 65.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -82.79 141.34 44.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.576 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 34.3 Cg_exo -57.7 106.05 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.663 2.242 . . . . 0.0 112.867 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.21 -34.85 50.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.84 -47.23 67.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.575 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.32 -41.19 85.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 44.3 mt-30 -68.72 -50.52 50.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.732 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.1 -52.31 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.16 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -64.18 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.288 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.04 -52.79 38.25 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.014 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.459 ' HB3' HG22 ' A' ' 5' ' ' VAL . 55.5 m95 -68.29 -36.01 78.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.523 0.201 . . . . 0.0 111.308 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -41.18 98.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.41 96.35 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.551 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 119' ' ' GLY . 84.1 mt -60.13 -45.07 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.31 -42.32 88.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.328 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.565 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 80.5 m-20 -66.61 -40.31 88.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.488 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 66.7 t30 -64.38 -39.15 93.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.429 ' O ' HG21 ' A' ' 131' ' ' VAL . 64.0 t80 -59.59 -50.1 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.394 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -54.8 -49.07 71.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.293 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 64.2 mtp180 -67.38 -34.56 77.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.67 -36.4 74.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.796 0.331 . . . . 0.0 110.366 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.471 HG12 HD23 ' A' ' 135' ' ' LEU . 47.0 t -81.93 -57.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.099 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.18 -17.65 64.39 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 p -56.94 -34.86 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.706 0.289 . . . . 0.0 111.767 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' ' 136' ' ' GLU . 13.0 t-80 -141.76 -33.57 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.046 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.471 HD23 HG12 ' A' ' 131' ' ' VAL . 81.8 mt 68.86 -37.71 0.37 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 113.153 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 134' ' ' HIS . 45.6 mt-10 -106.61 178.54 4.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.61 179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 55.93 84.74 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.826 0.704 . . . . 0.0 111.762 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -150.63 -44.7 0.12 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.017 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.421 ' HA ' ' OXT' ' A' ' 142' ' ' HIS . 47.3 p-80 -66.56 121.47 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.669 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -103.61 -39.72 6.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 170.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -167.03 -24.0 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.955 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.421 ' OXT' ' HA ' ' A' ' 139' ' ' HIS . 2.3 p-80 . . . . . 0 C--O 1.242 0.695 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 160.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.922 0.392 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.46 114.33 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.476 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.444 ' O ' ' HA ' ' A' ' 104' ' ' SER . 67.1 mt -94.18 136.36 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.1 m -118.11 111.48 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.0 111.118 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -115.61 137.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -150.08 154.87 38.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.935 0.398 . . . . 0.0 111.488 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 145.98 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.633 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.8 m -94.8 117.98 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -99.85 143.22 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.17 7.82 5.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.343 . . . . 0.0 111.762 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.589 ' HB2' HD12 ' A' ' 135' ' ' LEU . . . -91.82 148.64 37.51 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.732 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.544 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 12.7 Cg_exo -69.4 154.03 69.73 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.828 2.352 . . . . 0.0 111.48 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.56 -29.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.54 88.95 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.088 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.544 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -84.52 -41.25 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.675 0.274 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.11 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.473 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 45.9 t-105 -55.66 -49.32 73.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.87 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.38 -43.44 81.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.326 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.6 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 111.062 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -83.96 -14.45 50.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.015 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.535 ' HB ' HD22 ' A' ' 45' ' ' LEU . 22.8 p -120.65 0.37 10.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.507 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.8 m -102.38 107.7 54.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 122.225 -0.297 . . . . 0.0 110.583 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.12 -28.5 79.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.762 2.308 . . . . 0.0 113.012 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.85 -37.8 85.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.07 -34.38 15.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.09 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.528 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 71.0 mt -53.71 -42.41 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.795 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.4 -13.74 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.356 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 59.9 p-90 -131.42 -11.62 3.56 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.4 89.07 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.075 0.464 . . . . 0.0 110.643 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -173.54 135.67 0.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.665 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.47 0.13 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 0.0 110.396 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -145.02 147.12 32.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.215 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.9 -30.61 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.548 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.23 -23.47 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.733 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -100.05 144.25 29.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.158 0.504 . . . . 0.0 111.144 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -147.28 154.08 40.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.845 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -89.32 121.03 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.686 0.279 . . . . 0.0 110.468 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 p -84.0 -42.28 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 0.0 111.253 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.54 145.5 30.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.833 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.527 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -149.15 100.8 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -95.3 113.57 25.26 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.517 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.8 t -114.67 125.56 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.18 -176.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.24 100.9 9.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.535 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.7 tp -87.03 94.15 9.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.936 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -167.95 165.98 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.495 ' OE2' ' HG3' ' A' ' 72' ' ' LYS . 44.1 mt-10 -67.45 106.15 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.91 4.64 39.02 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.236 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.81 158.07 23.18 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.77 151.61 49.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.517 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.0 p90 -117.04 142.03 47.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.527 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 44.8 m -130.97 106.02 8.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.42 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.8 p -116.56 118.73 33.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.261 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 53.5 mtp180 -89.5 106.77 18.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.7 mtp -92.48 113.74 26.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.103 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.506 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 49.3 mt-10 -125.0 147.63 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.528 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.46 141.35 44.98 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -69.33 -14.56 63.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.004 0.43 . . . . 0.0 110.185 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.94 -22.94 65.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.996 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.14 5.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.039 -0.6 . . . . 0.0 113.934 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 m -68.88 -65.71 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.135 0.467 . . . . 0.0 112.021 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 79.7 mmm -79.83 134.46 36.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 111.873 -177.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.506 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -167.53 142.58 7.63 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.38 176.626 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.08 170.91 14.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.041 0.421 . . . . 0.0 110.768 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.494 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 12.5 p-10 -117.6 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.359 0.599 . . . . 0.0 110.166 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -93.34 124.04 37.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.52 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.99 124.13 41.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.37 138.71 10.37 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -109.05 125.91 52.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.881 0.341 . . . . 0.0 110.556 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -71.05 116.75 11.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.095 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -83.83 -33.94 24.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.142 0.496 . . . . 0.0 110.147 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.495 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 21.7 ttmm -155.46 145.99 22.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -135.22 115.81 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.317 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.8 p -117.81 109.39 27.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.663 0.744 . . . . 0.0 109.652 175.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 43.1 tt0 -58.95 131.61 51.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.357 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 68.77 10.84 8.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.394 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.23 -68.09 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.917 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 90' ' ' VAL . 23.0 ptt180 -158.96 170.62 21.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.876 0.37 . . . . 0.0 111.252 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.1 mt -131.81 129.88 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.482 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -114.55 122.55 46.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.203 176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -144.53 158.82 43.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 111.125 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -129.25 147.23 51.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -133.31 110.59 10.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.9 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.85 -104.13 1.57 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.695 -176.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -122.0 -2.86 9.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.455 0.645 . . . . 0.0 110.107 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -103.61 137.19 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.647 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.3 t -117.35 152.19 35.45 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 120.777 0.322 . . . . 0.0 110.222 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.23 134.07 47.82 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 34.7 ttpt -112.79 111.97 23.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.872 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.3 t -102.65 115.21 44.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.099 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.402 ' OE1' ' HD3' ' A' ' 102' ' ' ARG . 32.0 mt-10 -105.93 134.09 49.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -101.06 102.94 14.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 ' HD2' ' A' ' 102' ' ' ARG . 68.0 mt -94.93 100.56 12.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -72.88 106.24 4.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.53 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.56 165.38 13.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.97 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 14.3 Cg_endo -57.58 -31.42 91.67 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.694 2.263 . . . . 0.0 112.63 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.69 -43.79 18.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.024 0.44 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.22 -174.95 46.83 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -90.36 114.82 28.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.431 0.634 . . . . 0.0 110.481 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 65.6 m -86.19 113.49 22.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.234 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.36 114.2 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.532 ' HD2' HD12 ' A' ' 93' ' ' LEU . 30.1 ttt180 -111.63 123.77 50.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.761 -173.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.65 107.2 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.785 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 47.4 m -103.91 104.89 14.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -118.96 150.0 40.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.62 110.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.262 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.92 138.02 31.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.833 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -92.92 129.48 38.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.998 0.428 . . . . 0.0 110.376 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -70.9 -15.27 62.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.369 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.28 6.95 40.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -134.27 155.61 79.73 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.421 ' HB2' ' HB3' ' A' ' 115' ' ' GLN . 71.7 Cg_exo -50.12 104.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.736 2.29 . . . . 0.0 112.361 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.39 -42.71 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.847 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 52.6 mm-40 -62.02 -44.96 95.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.421 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 21.2 tp60 -69.32 -33.48 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.946 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.42 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 47.8 mt-30 -61.6 -46.87 87.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' HB2' HD13 ' A' ' 3' ' ' ILE . 34.8 tt0 -59.57 -51.68 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.825 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 96.9 mt-30 -61.1 -37.5 82.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.276 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.05 -54.33 38.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.728 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.42 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 83.8 m95 -66.27 -34.6 78.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.618 0.247 . . . . 0.0 110.841 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.12 -37.64 86.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.317 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.85 96.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.486 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.21 -43.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.213 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.21 -36.49 82.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.581 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -69.69 -42.44 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.531 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.97 -41.34 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.464 ' O ' HG21 ' A' ' 131' ' ' VAL . 90.7 t80 -56.9 -53.09 61.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.728 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.37 -50.28 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.364 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -60.92 -40.02 91.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.935 0.398 . . . . 0.0 110.789 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -65.89 -49.75 66.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.603 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 85.5 t -61.95 -47.58 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.482 -175.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.08 -35.66 80.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.729 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.0 m -71.91 -19.41 61.93 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.435 0.636 . . . . 0.0 110.267 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -81.11 -22.2 39.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.454 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 131' ' ' VAL . 24.4 mt -87.08 -69.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.229 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -101.94 106.51 17.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -66.1 116.08 6.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -82.03 55.01 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.039 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -97.95 -20.59 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -75.72 63.23 1.59 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 174.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.0 t60 178.98 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.583 -177.314 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -119.5 126.3 50.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.17 125.19 67.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.3 m -114.18 111.75 22.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.04 135.12 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.265 177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 102' ' ' ARG . 12.1 pt-20 -136.92 161.53 35.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 145.64 30.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.812 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -102.38 119.84 39.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.879 0.371 . . . . 0.0 110.46 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 t -107.1 139.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 11.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.24 147.96 34.95 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.851 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -65.22 155.38 68.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.939 2.426 . . . . 0.0 112.165 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.58 -30.71 47.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.95 -173.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.29 -39.36 95.96 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.155 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.79 -38.1 29.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.734 0.302 . . . . 0.0 110.345 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.77 -45.32 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.535 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.446 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 65.4 t-105 -55.14 -46.67 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.55 -47.1 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.67 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.96 67.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.698 0.285 . . . . 0.0 111.347 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.95 -16.29 36.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.375 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 p -115.41 -16.82 11.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 26' ' ' ILE . 44.1 m -79.1 111.28 18.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.603 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 88.6 Cg_exo -49.61 -42.79 41.79 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.352 2.701 . . . . 0.0 113.158 -175.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 46.8 mt-10 -59.32 -46.35 88.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.141 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.05 -37.01 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG13 ' O ' ' A' ' 22' ' ' THR . 65.3 mt -53.95 -44.02 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.767 ' HB2' ' HZ1' ' A' ' 27' ' ' LYS . 10.2 mtmp? -58.13 -18.39 24.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.88 -28.33 21.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.647 0.261 . . . . 0.0 111.284 -175.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.635 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 53.0 p-90 -117.51 -7.91 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.44 6.24 15.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.961 0.41 . . . . 0.0 111.427 -174.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.73 124.6 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.4 7.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.454 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -124.27 171.29 9.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.035 -175.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 0.58 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.422 0.629 . . . . 0.0 110.624 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.44 -23.02 20.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.293 0.568 . . . . 0.0 110.009 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 62' ' ' MET . 62.9 m95 -110.8 164.26 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.562 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -159.03 145.05 16.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.568 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -81.62 109.79 16.37 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -40.02 21.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.474 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.93 142.31 23.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.824 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.603 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -143.82 99.82 3.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.872 0.368 . . . . 0.0 110.701 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -99.89 114.27 27.38 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.822 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.508 HG22 ' HB2' ' A' ' 51' ' ' PHE . 84.4 t -121.7 124.18 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -175.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -107.72 96.44 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.8 tp -76.5 99.11 4.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.401 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -167.84 142.34 3.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.348 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.48 112.55 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.09 1.42 38.8 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.882 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -155.26 29.82 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.18 34.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.157 0.479 . . . . 0.0 111.263 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.508 ' HB2' HG22 ' A' ' 43' ' ' VAL . 29.8 p90 -135.43 160.05 39.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.93 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -144.85 112.74 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.535 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -111.34 114.5 27.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.062 0.458 . . . . 0.0 110.307 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.7 97.33 9.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.4 mtt -93.26 114.82 27.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.482 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -122.35 147.73 45.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.746 0.307 . . . . 0.0 110.326 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -68.44 150.85 47.63 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.94 -33.63 72.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.58 0.229 . . . . 0.0 111.555 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -85.5 -11.38 54.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.8 21.23 79.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.946 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -78.22 -18.81 54.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.381 0.61 . . . . 0.0 110.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.495 ' HG3' ' CH2' ' A' ' 36' ' ' TRP . 11.6 tpt -154.78 131.69 10.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.519 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.51 142.84 8.46 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.592 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.04 149.87 34.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -100.44 111.64 23.92 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.537 0.684 . . . . 0.0 109.808 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -78.29 106.07 9.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.2 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.6 127.56 55.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.66 138.48 9.48 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.056 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.3 m -92.34 124.88 36.72 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -71.26 103.86 2.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.428 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 p -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.673 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.776 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 26.3 mmtp -143.65 129.4 19.32 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.011 174.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.96 100.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.905 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.532 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 39.3 t -113.49 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.54 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 31.1 tt0 -58.94 128.34 36.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.226 -174.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.26 15.12 9.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.366 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.528 ' HD3' HG13 ' A' ' 74' ' ' VAL . 57.9 tttp -129.79 -64.73 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.905 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.532 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 9.8 ptm85 -155.43 144.01 20.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.274 0.559 . . . . 0.0 111.897 -171.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.32 119.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.327 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.776 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 40.9 mt-10 -125.59 129.23 49.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.966 0.413 . . . . 0.0 110.216 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -144.3 154.9 43.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.651 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -114.26 140.55 48.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -137.09 111.06 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.223 0.535 . . . . 0.0 109.761 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.96 -112.9 5.04 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.761 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.82 -11.2 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.438 . . . . 0.0 110.43 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.596 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 41.5 mtm180 -108.22 158.03 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.047 -174.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.2 t -133.65 156.67 47.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.886 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.66 138.96 54.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.7 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.4 ' HB2' ' HE2' ' A' ' 89' ' ' LYS . 21.1 ttmm -117.73 110.43 17.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -103.92 115.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.066 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.24 134.48 54.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -94.56 106.09 18.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.9 mt -103.55 134.87 46.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -94.08 117.44 30.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.333 0.587 . . . . 0.0 112.241 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -106.78 154.9 39.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -63.47 -33.44 68.85 Favored 'Trans proline' 0 CA--C 1.521 -0.172 0 C-N-CA 122.202 1.935 . . . . 0.0 112.106 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -98.6 16.06 23.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.824 -176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 147.0 163.05 10.28 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.019 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.01 132.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.926 0.393 . . . . 0.0 110.163 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.7 m -105.06 119.93 40.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.62 106.77 17.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.629 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.446 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 22.2 ttt180 -99.77 111.99 24.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.77 107.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.347 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 t -106.06 104.94 14.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -118.11 149.59 40.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.143 0.497 . . . . 0.0 111.096 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.596 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 60.3 t -74.58 136.31 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.54 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -122.89 147.01 47.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.936 0.398 . . . . 0.0 110.982 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.98 134.63 34.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -171.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.53 -34.93 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 111.653 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.06 131.51 33.0 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.665 -171.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -44.69 118.74 1.97 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.778 2.985 . . . . 0.0 113.139 -176.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.88 -30.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.448 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -51.43 -54.1 30.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.973 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.78 -40.58 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.225 -176.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -66.74 -44.12 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.961 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.887 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.2 -35.16 80.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.099 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.86 42.77 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.074 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -66.72 -35.35 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.193 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -62.06 -43.95 97.72 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.216 -0.193 . . . . 0.0 110.972 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.309 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.44 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.78 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.35 -40.28 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.511 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.598 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 22.2 m-80 -66.62 -37.81 85.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 110.6 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.635 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 56.1 t30 -69.48 -36.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.489 ' O ' HG22 ' A' ' 131' ' ' VAL . 84.4 t80 -58.81 -48.05 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.002 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.29 -48.3 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.824 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.598 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 39.8 mmt180 -55.75 -49.1 74.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 0.0 110.305 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -63.94 -49.0 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.978 -175.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 127' ' ' PHE . 61.2 t -64.13 -44.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.403 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 52.8 mt-10 -72.69 -18.49 61.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.301 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.9 m -87.72 -5.77 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.016 0.436 . . . . 0.0 110.418 173.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.12 -1.55 31.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.099 0.476 . . . . 0.0 109.864 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.403 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 79.8 mt -67.23 140.63 57.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.056 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -79.78 -172.48 3.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.262 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -148.35 176.38 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -52.56 118.36 3.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.185 0.516 . . . . 0.0 110.351 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -78.81 82.43 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.552 0.692 . . . . 0.0 110.315 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -153.35 110.08 3.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -101.32 169.66 8.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.266 0.555 . . . . 0.0 111.389 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.131 170.484 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -133.84 158.62 42.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.153 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.52 127.58 75.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.171 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.0 m -106.49 111.36 23.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.72 148.74 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.934 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 11.2 pt-20 -148.41 160.26 43.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.997 0.427 . . . . 0.0 111.597 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.18 142.09 18.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.389 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 34.0 m -97.31 118.48 33.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.913 0.387 . . . . 0.0 111.311 -176.64 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.538 HG13 ' HG3' ' A' ' 128' ' ' LYS . 16.4 t -100.23 143.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.785 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.63 11.67 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 111.748 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -100.28 150.29 36.79 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.731 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 12.8 Cg_exo -68.14 153.84 73.83 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 111.95 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.31 -23.92 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.56 84.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.815 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.548 0.213 . . . . 0.0 110.829 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.95 -42.41 89.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 109.993 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.31 -53.04 61.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -63.7 -44.68 92.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.684 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -91.6 -17.61 25.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 p -110.26 -16.32 13.77 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.453 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.8 m -89.88 117.6 68.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 122.308 -0.245 . . . . 0.0 110.878 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.17 -31.5 66.05 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.22 2.613 . . . . 0.0 112.791 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -33.53 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.24 -39.07 10.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.962 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 22' ' ' THR . 77.6 mt -51.73 -46.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.424 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -67.46 -8.53 34.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.854 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -91.75 -43.06 9.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.746 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.449 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 43.3 p-90 -100.16 -13.9 18.75 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.422 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 64.1 t30 -77.09 84.9 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.94 0.4 . . . . 0.0 110.75 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.96 124.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.126 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.25 -28.12 61.96 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 t -133.93 152.72 51.96 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.74 -8.57 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 111.015 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.65 -18.15 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 0.0 109.719 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.567 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 56.6 m95 -96.73 161.69 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.309 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.22 157.03 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.54 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 25.2 m -86.56 113.95 22.89 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -82.84 -32.2 27.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.029 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.72 135.16 17.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.981 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -150.78 116.19 5.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.996 0.427 . . . . 0.0 111.512 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -118.33 118.1 30.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.365 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 51' ' ' PHE . 59.5 t -118.94 122.7 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 111.088 -176.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.7 101.01 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.96 109.78 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.809 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -177.81 166.98 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.03 113.79 11.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.67 -4.81 50.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.68 162.29 35.86 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.66 160.27 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.053 0.454 . . . . 0.0 111.127 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.54 ' HB2' HG23 ' A' ' 43' ' ' VAL . 53.1 p90 -129.4 141.74 50.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.941 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.651 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 16.3 m -119.82 115.0 22.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.897 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 p -128.09 110.46 12.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.849 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 12.3 ttp180 -96.21 110.53 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.567 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 38.6 ttm -99.46 119.33 37.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.655 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 66.5 mt-10 -125.38 158.53 34.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.98 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.73 -21.45 65.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.35 -14.7 42.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.393 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.71 -2.83 73.69 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.058 -0.591 . . . . 0.0 113.188 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -66.03 -27.47 68.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.8 mtm -147.25 161.98 39.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.355 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.508 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 163.91 140.46 2.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.561 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -150.89 156.04 40.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.7 0.25 . . . . 0.0 110.598 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.574 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.7 p-10 -101.19 120.11 39.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.597 0.713 . . . . 0.0 110.447 176.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -107.38 118.62 37.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.31 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.53 154.23 21.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.634 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -118.34 125.81 50.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.906 0.353 . . . . 0.0 110.78 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -73.24 119.07 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.114 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.5 p -92.09 -36.0 13.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.726 0.298 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -147.49 128.04 14.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.976 0.417 . . . . 0.0 109.933 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.9 t -118.9 133.27 66.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 77' ' ' LYS . 43.8 t -130.66 112.96 23.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.21 132.31 51.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 0.0 111.066 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 67.27 18.83 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.485 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 mmtt -134.35 -70.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 0.0 111.974 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.684 HH22 ' HD2' ' A' ' 89' ' ' LYS . 10.2 ptm85 -154.4 145.23 22.52 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.0 112.117 -169.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.444 ' HB ' ' HB ' ' A' ' 90' ' ' VAL . 54.6 mt -119.94 111.13 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.254 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -111.3 112.54 24.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -137.25 151.66 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 111.117 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.597 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.29 144.3 44.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.16 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -129.73 112.98 14.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.398 0.618 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 -103.43 1.58 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.19 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -122.98 -1.95 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.763 0.316 . . . . 0.0 110.705 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -122.5 139.24 54.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.387 . . . . 0.0 111.046 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.597 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t -106.75 163.62 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.488 -174.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.72 145.56 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.946 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.684 ' HD2' HH22 ' A' ' 78' ' ' ARG . 39.7 mtmt -113.6 134.98 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 79' ' ' ILE . 61.6 t -112.89 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 168.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.99 133.3 53.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.013 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -102.83 104.51 14.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.029 0.443 . . . . 0.0 110.346 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.453 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 76.0 mt -90.45 110.89 21.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.305 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.97 111.59 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 159.56 29.68 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.501 174.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 30.8 Cg_endo -64.1 -21.42 67.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.257 1.971 . . . . 0.0 112.348 178.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -101.17 -1.23 34.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.605 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.19 -164.54 28.96 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.064 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.8 119.45 58.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.494 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 48.7 m -89.03 111.57 22.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.071 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -83.12 106.62 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.883 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -101.59 113.99 27.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 68.3 t -109.38 112.79 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.081 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t -110.12 106.89 16.53 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -119.74 142.82 48.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -174.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.59 122.19 24.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.65 148.16 24.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.867 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.28 118.69 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.471 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.4 p -71.99 -6.04 39.28 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.086 0.469 . . . . 0.0 111.268 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.55 2.97 48.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.663 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -129.13 150.96 76.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.145 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.18 140.36 88.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.712 2.274 . . . . 0.0 112.756 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.61 -42.09 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.692 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -47.28 -55.39 8.79 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.704 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.525 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.84 -38.57 83.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.5 -53.04 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.55 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.19 -33.88 75.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.884 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.467 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.73 -56.69 21.43 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.188 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -67.87 -34.42 76.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.646 0.26 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.55 -42.21 99.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.272 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.16 91.82 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 119' ' ' GLY . 82.8 mt -60.5 -43.82 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.394 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.28 -39.31 93.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.25 -37.47 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.09 -34.92 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.522 ' O ' HG22 ' A' ' 131' ' ' VAL . 76.2 t80 -58.58 -56.59 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 172.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.538 ' HG3' HG13 ' A' ' 9' ' ' VAL . 79.4 tttt -53.21 -46.85 69.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -50.41 -54.59 20.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.085 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 80.3 t60 -68.98 -39.15 79.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 -176.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 127' ' ' PHE . 95.4 t -68.18 -41.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.404 ' OE2' ' HE3' ' A' ' 128' ' ' LYS . 77.9 mt-10 -69.39 -33.88 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.659 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.0 p -79.52 -2.24 41.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.158 0.504 . . . . 0.0 110.455 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 18.5 t-80 -93.43 -7.8 43.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.461 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.6 mt -90.73 -71.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.711 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -125.44 -148.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.657 -176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 77.1 t60 82.55 -14.31 0.77 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.021 0.826 . . . . 0.0 110.664 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 39.7 m80 63.12 -92.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.594 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -177.69 164.45 1.99 Allowed 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.291 0.369 . . . . 0.0 110.393 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -64.99 138.65 58.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.523 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -107.7 -66.33 1.04 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.534 172.366 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -118.74 117.93 30.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 113' ' ' VAL . 63.5 mt -88.85 130.16 38.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 m -107.7 110.03 21.77 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 121.28 0.562 . . . . 0.0 110.12 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 HG22 ' HB ' ' A' ' 103' ' ' VAL . 14.8 m -114.39 135.25 54.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 176.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.9 pt-20 -142.15 150.34 40.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -150.77 133.95 16.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.28 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 29.1 m -96.35 102.89 14.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.168 0.508 . . . . 0.0 110.611 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.19 141.0 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.426 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.37 12.15 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 111.915 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.19 148.43 35.92 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.524 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.18 155.62 64.06 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.86 2.374 . . . . 0.0 112.079 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.44 -30.23 47.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.668 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -61.92 -32.04 80.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.404 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -85.13 -39.69 17.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.739 0.304 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.467 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 69.8 mtt-85 -73.52 -40.76 63.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.209 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.53 70.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.094 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -82.41 -19.06 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 p -110.91 2.01 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.4 m -99.37 105.84 35.54 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.7 Cg_endo -52.64 -36.2 70.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.651 2.9 . . . . 0.0 113.074 -174.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.18 -38.94 90.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -82.55 -33.58 28.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.486 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 22' ' ' THR . 68.1 mt -55.24 -41.22 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.522 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 52.3 mtmt -57.47 -19.82 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 48.4 p-90 -111.04 -19.08 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.994 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -82.62 90.36 6.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.053 0.454 . . . . 0.0 110.467 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.47 105.32 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.08 -18.62 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.862 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -136.87 158.83 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.299 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.93 -31.3 72.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.419 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 19.6 m-20 -81.04 -16.57 52.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.425 -175.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.444 ' HE3' ' HG3' ' A' ' 55' ' ' MET . 80.3 m95 -114.05 146.79 39.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.82 -173.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -162.96 151.14 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.536 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 26.2 m -69.72 114.44 7.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.551 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -89.66 -42.64 11.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.064 0.459 . . . . 0.0 110.588 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.92 120.42 33.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.294 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.74 112.98 14.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -119.97 113.16 20.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.2 t -120.48 116.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.868 -175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -98.01 98.98 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -80.9 99.35 8.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.289 0.566 . . . . 0.0 110.995 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -172.36 157.68 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.962 . . . . 0.0 108.877 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.03 115.73 13.84 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.6 41.27 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.321 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.54 178.23 29.95 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.586 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.87 147.48 37.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.773 0.32 . . . . 0.0 110.784 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 31.8 p90 -127.44 150.15 49.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.165 178.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.5 t -135.36 126.91 28.81 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 p -128.59 106.0 8.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.907 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.614 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 35.6 ttp180 -83.1 114.22 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.42 0.629 . . . . 0.0 111.118 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.444 ' HG3' ' HE3' ' A' ' 36' ' ' TRP . 44.7 tpp -95.49 114.87 26.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.922 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.457 ' HG3' ' HG2' ' A' ' 54' ' ' ARG . 48.4 mt-10 -123.48 150.62 43.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.934 0.397 . . . . 0.0 110.994 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.42 119.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.854 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.7 ptpt -62.73 -37.15 85.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -95.53 -14.31 23.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.052 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.5 -151.9 9.4 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 120.009 -1.091 . . . . 0.0 112.793 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m -116.6 -11.39 11.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.63 -0.785 . . . . 0.0 111.381 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.5 mtp -75.29 140.37 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.629 -173.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.428 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . -164.73 138.41 5.24 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.76 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.45 143.67 34.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.688 0.28 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.614 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.8 p-10 -92.08 123.51 35.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.216 0.532 . . . . 0.0 110.503 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -93.89 106.2 18.18 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -114.49 141.99 46.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.2 152.16 24.31 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.731 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.2 m -112.94 126.72 55.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.633 0.254 . . . . 0.0 110.458 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -76.25 113.95 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.197 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -88.23 -33.09 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -147.14 123.98 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.478 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.82 115.35 49.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.174 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.465 HG12 ' HB3' ' A' ' 77' ' ' LYS . 37.3 t -117.48 112.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.42 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.111 -172.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.24 30.55 1.48 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.878 1.271 . . . . 0.0 113.092 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.6 tttt -137.34 -66.87 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.439 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -150.58 134.51 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.272 0.558 . . . . 0.0 112.035 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.2 mt -114.72 113.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.451 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -116.43 124.28 49.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.076 0.465 . . . . 0.0 110.405 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -143.63 158.84 43.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.841 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.44 141.52 48.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.265 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.44 107.6 7.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.92 -121.08 20.88 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.132 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.56 -1.76 56.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.983 0.42 . . . . 0.0 111.238 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -120.44 171.94 8.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.552 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 t -147.13 159.33 43.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.46 137.37 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 111.453 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -113.86 112.13 22.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.859 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG13 HG23 ' A' ' 103' ' ' VAL . 41.8 t -109.06 107.84 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.309 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -114.5 145.24 42.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.92 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -106.65 104.42 14.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.013 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.7 mt -96.76 106.56 18.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.174 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.55 108.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.286 0.565 . . . . 0.0 110.575 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.45 165.56 12.74 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.962 -173.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 11.1 Cg_endo -55.15 -28.62 62.0 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.776 2.318 . . . . 0.0 113.394 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' HB2' HG21 ' A' ' 8' ' ' THR . 85.4 mm-40 -91.7 -10.88 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.62 0.248 . . . . 0.0 111.484 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.24 -111.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.547 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -136.82 121.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.973 0.416 . . . . 0.0 110.982 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.5 m -86.6 109.98 19.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 176.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.49 105.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -102.55 107.92 19.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.365 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.466 ' HB ' HG22 ' A' ' 5' ' ' VAL . 44.9 t -101.72 107.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.962 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m -103.52 104.28 14.33 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -122.87 145.51 48.39 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.046 0.45 . . . . 0.0 111.193 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.0 t -76.68 129.13 37.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.798 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.53 147.1 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -73.78 139.62 45.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.509 176.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 p -87.42 -13.38 43.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -99.16 8.2 45.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.004 0.431 . . . . 0.0 111.201 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.67 153.77 54.5 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.763 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.69 102.61 0.11 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.777 2.318 . . . . 0.0 112.317 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 3' ' ' ILE . 67.3 t -65.32 -40.92 90.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.364 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -40.62 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.46 -36.01 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.19 0.519 . . . . 0.0 110.36 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -72.19 -39.88 68.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.694 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.01 -47.44 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.905 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.21 -45.38 88.53 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.092 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.9 -52.32 52.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.193 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.78 -34.43 78.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 0.211 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.11 -40.06 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.985 0.421 . . . . 0.0 110.154 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.4 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.41 . . . . 0.0 110.19 175.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 119' ' ' GLY . 81.9 mt -63.69 -44.11 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.627 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 55.2 mt -63.88 -43.74 95.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.594 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.498 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 87.5 m-20 -66.84 -33.59 75.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.668 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.562 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 64.0 t30 -69.62 -41.29 75.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.31 0.576 . . . . 0.0 109.453 176.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.445 ' O ' HG22 ' A' ' 131' ' ' VAL . 78.6 t80 -58.45 -48.63 80.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.06 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.406 ' HZ3' ' CD ' ' A' ' 132' ' ' GLU . 62.2 tttm -51.6 -57.09 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.659 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 57.9 mtt-85 -58.42 -43.07 88.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.111 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.88 -42.49 90.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.815 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.483 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 90.5 t -68.47 -39.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.406 ' CD ' ' HZ3' ' A' ' 128' ' ' LYS . 97.2 mt-10 -71.1 -17.73 62.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.849 177.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -77.56 -13.18 59.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 172.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 39.9 m-70 -75.87 -19.83 58.56 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 171.361 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.4 mt -95.15 152.25 18.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.032 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 53.34 96.68 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.107 0.88 . . . . 0.0 111.946 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -71.68 91.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 71.8 t60 60.14 84.14 0.13 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 123.917 0.76 . . . . 0.0 110.648 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -80.92 64.69 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 111.088 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 62.18 -90.63 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.987 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -160.97 104.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 21.7 t60 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.435 -176.332 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.693 0.282 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -119.27 116.31 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.428 HD13 HG12 ' A' ' 113' ' ' VAL . 64.9 mt -93.74 134.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m -122.41 113.44 19.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.002 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.6 m -113.97 151.33 15.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.542 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 14.2 pt-20 -154.65 160.37 41.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.429 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -157.02 148.56 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.74 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -99.51 105.09 16.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG21 ' HB3' ' A' ' 128' ' ' LYS . 12.1 t -88.01 130.83 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.879 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 12.02 4.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.045 0.45 . . . . 0.0 111.75 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -101.77 154.28 37.4 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.56 146.11 92.43 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.758 2.305 . . . . 0.0 112.045 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.22 -29.23 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.143 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.44 98.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.318 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -77.04 -37.56 54.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.73 -43.02 94.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.249 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.413 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 55.0 t-105 -57.43 -49.72 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.015 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -72.02 -35.15 69.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.825 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.083 0.468 . . . . 0.0 110.804 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -82.71 -11.77 58.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.868 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 p -117.41 -0.42 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 26' ' ' ILE . 88.0 m -96.01 110.3 51.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.62 -43.66 49.22 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.534 2.823 . . . . 0.0 113.554 -173.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.538 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 8.7 pt-20 -71.7 -16.01 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.641 -176.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -95.38 -41.54 8.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.56 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 84.9 mt -50.93 -48.45 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.402 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.7 pttt -65.63 -6.99 12.81 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.14 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -90.68 -25.5 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 31.7 p-90 -117.28 -11.95 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -78.88 84.36 4.93 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.955 0.407 . . . . 0.0 110.347 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.88 112.62 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.931 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.25 13.0 26.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -158.96 150.63 20.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.34 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.16 -19.38 63.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.018 0.437 . . . . 0.0 109.967 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.35 -16.42 37.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.319 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.632 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 61.5 m95 -107.42 149.9 27.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -158.91 148.03 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.219 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.4 m -83.7 113.68 21.05 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -39.27 19.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.287 -175.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.56 146.97 35.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.396 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.23 130.82 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 m -141.76 125.8 17.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG21 ' HB2' ' A' ' 51' ' ' PHE . 96.6 t -132.81 125.02 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.654 0.264 . . . . 0.0 111.453 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -105.37 98.35 8.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -82.35 106.21 14.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -173.31 164.06 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 81.5 mt-10 -70.91 105.55 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 13.85 30.85 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.436 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.19 179.07 42.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.851 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.02 160.34 40.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB2' HG21 ' A' ' 43' ' ' VAL . 42.0 p90 -138.46 147.7 43.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.133 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 p -134.25 124.69 26.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.202 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -128.56 133.57 48.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -102.36 93.64 5.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.903 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.632 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 35.5 ttp -101.67 118.66 37.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -125.26 159.3 31.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.594 -174.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.51 136.32 36.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -64.26 -43.69 94.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.849 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.17 -20.22 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 110.797 -177.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 19.89 25.34 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.64 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.1 t -75.07 -49.28 20.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.872 0.368 . . . . 0.0 110.509 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 82.7 mtp -138.82 167.43 22.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.214 0.53 . . . . 0.0 111.362 -174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.22 137.53 2.26 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -155.1 166.3 34.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.598 0.699 . . . . 0.0 112.168 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 102.94 14.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.832 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.87 105.34 17.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.56 146.0 47.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.698 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.87 170.13 33.1 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.865 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.0 m -117.2 132.8 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -80.43 110.72 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -84.04 -32.66 24.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.61 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 18.1 tptm -147.81 127.05 12.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.426 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 99.0 t -135.38 102.65 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.687 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -113.43 119.61 61.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.241 0.543 . . . . 0.0 109.641 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 44.8 tt0 -66.22 131.77 46.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.514 -171.31 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.53 28.0 6.03 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.198 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.555 ' HB3' ' HD2' ' A' ' 78' ' ' ARG . 35.3 mmtm -138.45 -76.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.627 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.555 ' HD2' ' HB3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -157.43 150.88 23.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 111.798 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.0 mt -113.51 116.06 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.912 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.61 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 33.0 tt0 -110.66 123.49 50.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -147.7 160.13 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 111.287 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.483 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.359 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -128.18 118.93 24.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.64 -108.6 2.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.765 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.25 0.14 14.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.839 0.352 . . . . 0.0 110.342 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.401 ' HD3' ' HA ' ' A' ' 86' ' ' ARG . 20.8 mmt180 -118.94 135.7 54.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.387 . . . . 0.0 111.206 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.0 t -112.39 148.99 33.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.842 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.92 143.51 34.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -127.05 112.4 15.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.327 0.584 . . . . 0.0 110.169 176.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.407 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -88.19 113.62 25.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.502 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -106.36 134.66 49.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.01 0.433 . . . . 0.0 110.602 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.75 108.65 20.27 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.548 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.3 mt -90.37 115.4 27.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.273 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.23 106.09 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.266 0.555 . . . . 0.0 111.058 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' HB2' ' HD2' ' A' ' 96' ' ' PRO . . . -106.37 158.16 33.28 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.373 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 95' ' ' ALA . 19.4 Cg_endo -59.52 -31.04 93.93 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.454 2.102 . . . . 0.0 113.079 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -96.66 -23.89 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.97 -168.96 35.63 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.672 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.28 119.65 60.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.017 0.437 . . . . 0.0 110.517 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.548 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 28.8 m -84.96 110.37 18.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.535 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.501 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.3 t -85.19 109.49 18.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -112.37 123.91 51.32 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.407 HG22 HG13 ' A' ' 90' ' ' VAL . 45.6 t -112.27 107.72 23.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -103.44 113.83 27.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -130.44 149.85 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.879 0.371 . . . . 0.0 111.173 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.35 121.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB2' ' OE1' ' A' ' 116' ' ' GLN . . . -103.09 146.92 27.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.86 -171.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.07 131.82 43.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.419 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.3 p -85.68 -11.26 54.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.265 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -82.75 -32.96 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.056 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.32 151.1 41.19 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.506 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 42.8 Cg_exo -57.22 129.25 33.21 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.794 2.329 . . . . 0.0 112.384 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.428 HG12 HD13 ' A' ' 3' ' ' ILE . 65.6 t -64.76 -29.95 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.99 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.73 -56.67 12.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.434 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -32.79 73.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.196 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.462 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.0 mt-30 -68.11 -47.81 67.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.286 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -71.95 -53.11 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.78 -37.25 86.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.969 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.478 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.78 -58.51 13.44 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.142 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.421 ' HB3' HG21 ' A' ' 5' ' ' VAL . 41.8 m95 -63.3 -36.14 82.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.461 0.172 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -63.43 -43.74 96.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.62 96.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 119' ' ' GLY . 77.6 mt -62.16 -41.72 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.303 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.1 -36.87 82.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.136 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.81 -41.25 83.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -62.71 -41.16 99.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.495 ' O ' HG22 ' A' ' 131' ' ' VAL . 63.3 t80 -58.77 -56.04 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.654 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.449 ' HB3' HG21 ' A' ' 9' ' ' VAL . 59.1 pttt -61.27 -42.67 99.04 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.836 -176.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 129' ' ' ARG . 48.3 mtp85 -62.67 -38.5 90.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 127' ' ' PHE . 39.3 t -78.49 -44.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.58 -45.2 85.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.924 0.393 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 m -72.23 -17.38 61.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -88.54 -11.24 46.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.362 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.59 -73.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.72 179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.4 78.74 6.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.409 0.623 . . . . 0.0 110.379 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -100.12 -45.72 5.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.716 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -157.54 23.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -136.67 99.32 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.183 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -126.82 88.36 2.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.375 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -125.15 143.05 51.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.158 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 17.6 p80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.208 -178.147 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.05 122.61 27.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.454 HD12 HG13 ' A' ' 113' ' ' VAL . 62.9 mt -112.09 130.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.821 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.6 m -107.73 112.82 25.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.471 HG22 ' HB ' ' A' ' 103' ' ' VAL . 16.0 m -113.85 137.7 46.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.34 145.86 34.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.203 0.525 . . . . 0.0 111.989 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -144.76 130.17 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.135 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 89.0 m -101.68 111.05 23.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.75 145.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.821 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.23 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.904 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.783 ' HB1' HD11 ' A' ' 135' ' ' LEU . . . -99.68 152.62 37.87 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.757 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.459 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.4 Cg_exo -69.66 156.0 64.77 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.504 2.136 . . . . 0.0 111.297 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.479 HG13 ' OD1' ' A' ' 76' ' ' ASN . 9.7 p -59.82 -28.17 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.979 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.457 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -60.06 -36.71 91.24 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.37 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.6 mttm -84.8 -41.19 16.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.54 -45.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.284 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.511 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.4 t-105 -56.26 -49.52 73.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 77.8 mtt-85 -67.6 -39.41 84.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 -173.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.45 -32.55 70.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 0.0 111.374 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -81.54 -15.75 53.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.19 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 ' HB ' HD23 ' A' ' 45' ' ' LEU . 23.1 p -108.36 -31.17 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.486 ' O ' HG13 ' A' ' 26' ' ' ILE . 30.0 m -76.5 112.18 20.07 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.495 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 16.4 Cg_endo -57.7 -24.66 64.28 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.121 2.548 . . . . 0.0 112.585 -176.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 8.0 tp10 -66.11 -37.2 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.297 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 21.3 t70 -88.09 -33.59 18.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.882 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.498 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 68.4 mt -52.39 -43.93 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.679 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 33.8 mtmm -64.41 -8.07 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -91.22 -18.41 24.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.902 -0.135 . . . . 0.0 111.209 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.498 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 50.0 p-90 -132.22 -3.5 3.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.76 80.77 2.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 111.05 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -169.7 132.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.081 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.19 -23.55 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 109.701 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -156.25 158.18 37.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.088 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -69.36 -4.42 18.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.3 -11.78 59.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.844 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -106.45 148.18 28.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.174 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -137.31 139.1 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -38.32 21.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 -175.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.54 128.92 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.705 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.4 115.28 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.6 m -122.85 117.22 25.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.914 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.32 113.44 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.75 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -101.42 103.3 14.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD23 ' HB ' ' A' ' 21' ' ' THR . 55.8 tp -80.75 100.3 8.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.448 -174.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -168.32 162.67 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.34 100.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.34 15.19 20.14 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.18 144.25 17.03 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.746 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.43 151.88 19.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.187 0.518 . . . . 0.0 111.039 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -135.24 144.62 46.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.308 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 t -146.88 121.47 9.77 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 112.06 14.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.626 HH11 ' HB2' ' A' ' 65' ' ' ASP . 19.8 mmm180 -82.79 102.65 11.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.256 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 86.3 mtp -102.3 112.57 25.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -124.52 151.94 44.04 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.1 142.49 34.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.26 -19.69 63.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.48 -13.96 61.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.476 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.46 -11.31 66.25 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 113.713 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -81.46 -63.89 1.3 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.031 0.416 . . . . 0.0 111.547 -176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mmm -82.57 148.24 28.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.45 138.19 3.77 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.003 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.14 164.27 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 0.0 111.057 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.626 ' HB2' HH11 ' A' ' 54' ' ' ARG . 18.1 t70 -123.95 123.56 40.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.132 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -97.29 106.29 18.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.88 128.7 49.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.017 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.24 -172.89 29.19 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.098 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.8 m -129.71 134.85 47.87 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.479 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 86.0 m-85 -73.19 111.95 8.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 p -84.35 -34.04 23.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HB2' ' HB3' ' A' ' 80' ' ' GLU . 31.4 mmtp -137.8 138.09 38.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.731 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.04 100.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.053 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.435 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 24.3 t -104.91 100.46 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.7 tt0 -55.24 123.71 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.052 -173.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.479 ' OD1' HG13 ' A' ' 13' ' ' VAL . 48.8 m-80 67.49 22.96 9.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.269 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' HE2' ' HB2' ' A' ' 77' ' ' LYS . 21.6 ttmm -139.62 -61.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.083 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 13.0 ptp180 -152.46 151.29 30.58 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.907 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.3 mt -124.35 118.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.454 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.837 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 20.2 tt0 -115.35 122.34 45.59 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.479 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 39.2 p90 -139.85 150.76 45.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.596 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -117.98 124.61 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.92 177.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -119.45 123.64 44.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.241 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -103.83 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.627 -0.796 . . . . 0.0 111.309 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.37 -10.92 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -109.43 135.15 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.043 -172.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.596 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 11.7 t -108.46 153.18 23.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.03 139.87 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -117.08 110.98 18.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.988 0.423 . . . . 0.0 110.404 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.625 HG23 HG12 ' A' ' 103' ' ' VAL . 60.7 t -102.31 117.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.667 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.73 134.58 54.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 -177.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -99.17 104.46 16.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.753 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.543 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 64.2 mt -88.94 105.44 17.77 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.32 106.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.285 0.564 . . . . 0.0 110.376 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.76 165.47 12.71 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.067 -175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.4 -42.9 44.47 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 111.891 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -90.47 15.93 9.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.51 -131.06 5.62 Favored Glycine 0 C--O 1.226 -0.377 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.864 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -132.87 120.02 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.47 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 58.8 m -89.39 105.76 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.086 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.95 105.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.683 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -105.51 112.95 26.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.326 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.625 HG12 HG23 ' A' ' 90' ' ' VAL . 46.4 t -102.76 109.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.165 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.2 t -107.89 107.2 17.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.28 150.99 41.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.82 106.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.446 0.641 . . . . 0.0 109.864 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.72 146.98 23.33 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.406 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -84.64 117.25 23.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.2 t -72.52 -2.49 19.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.531 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -69.63 -38.85 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.595 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 51.0 m-85 -80.11 161.71 64.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.46 110.6 0.63 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.247 1.964 . . . . 0.0 111.304 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.454 HG13 HD12 ' A' ' 3' ' ' ILE . 57.6 t -61.09 -45.62 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.903 -173.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.44 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -175.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -69.89 -40.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.298 -177.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.595 ' NE2' ' HB2' ' A' ' 111' ' ' TYR . 54.6 mt-30 -63.83 -48.71 75.7 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.779 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -57.54 -44.95 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.551 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.52 -46.46 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.502 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.41 -49.27 80.41 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.453 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.425 ' HB3' HG21 ' A' ' 5' ' ' VAL . 69.2 m95 -63.88 -43.16 96.87 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.12 -36.25 83.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.298 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.24 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.623 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.5 mt -61.84 -41.53 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.38 177.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -34.26 77.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.464 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -73.95 -40.13 63.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.761 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.68 -41.37 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.478 . . . . 0.0 109.793 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.468 ' O ' HG21 ' A' ' 131' ' ' VAL . 68.6 t80 -59.78 -49.26 78.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.391 174.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.33 -51.87 65.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -54.33 -48.08 71.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.445 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.413 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 76.6 t60 -56.77 -43.96 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.412 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.522 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.8 t -73.18 -49.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.427 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.24 -35.99 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.291 . . . . 0.0 111.503 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -73.51 -15.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.245 0.545 . . . . 0.0 110.022 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -94.94 -3.87 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.76 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.783 HD11 ' HB1' ' A' ' 11' ' ' ALA . 79.9 mt -89.36 -70.77 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.523 175.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -125.62 105.36 8.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.024 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.3 63.22 0.05 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.806 175.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 59.91 44.2 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.913 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -89.43 19.81 4.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.685 0.755 . . . . 0.0 109.366 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -154.22 173.23 16.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.9 m170 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.647 175.685 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -134.13 114.65 13.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.796 0.332 . . . . 0.0 110.637 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.512 HD13 ' HB2' ' A' ' 117' ' ' GLN . 66.1 mt -92.98 123.06 44.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.3 m -103.65 111.3 23.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.382 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.77 161.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.749 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.5 pt-20 -148.42 157.99 43.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.922 0.391 . . . . 0.0 111.832 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.505 ' HB ' ' HB3' ' A' ' 124' ' ' LEU . 8.8 t -149.87 131.88 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.253 173.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -98.86 105.99 18.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.682 0.277 . . . . 0.0 110.267 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -91.33 135.56 26.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.172 -178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 12.09 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.118 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -108.73 153.51 42.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.65 154.4 55.01 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.53 2.153 . . . . 0.0 111.857 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.46 -29.67 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.205 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -43.92 98.67 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.2 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.86 -44.18 73.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.289 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.91 -43.6 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.601 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 48.6 t-105 -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.962 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.7 mtp180 -67.95 -44.95 75.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.94 68.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.071 0.462 . . . . 0.0 111.248 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -86.96 -18.5 30.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.013 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -114.2 1.79 14.64 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.502 ' O ' HG13 ' A' ' 26' ' ' ILE . 36.0 m -95.97 113.7 62.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.635 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.506 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 72.2 Cg_exo -50.39 -40.19 53.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.615 2.876 . . . . 0.0 113.657 -175.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.063 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.8 -44.66 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.915 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.533 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 77.7 mt -52.2 -47.15 44.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.32 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -57.84 -20.93 39.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.08 -31.7 11.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.294 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.578 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 19.4 p-90 -97.85 -14.5 20.69 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.629 -0.829 . . . . 0.0 112.445 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.93 78.01 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.474 0.654 . . . . 0.0 109.551 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.92 152.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.632 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.26 49.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.995 0.426 . . . . 0.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -173.7 165.66 4.49 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.67 -5.21 27.92 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.448 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.42 -12.29 61.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.595 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -120.7 161.82 20.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.592 ' CD2' ' HB2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -152.28 147.7 26.67 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.528 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.543 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 84.9 m -99.57 110.78 23.2 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 p -84.04 -42.36 16.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -173.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.25 120.86 29.65 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.576 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -139.1 99.3 3.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 33.2 m -104.32 116.13 31.61 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.866 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.58 110.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.36 92.13 7.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -79.94 95.09 6.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.383 -172.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -169.57 165.46 10.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.932 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.1 115.47 11.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.48 11.56 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -170.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.57 147.62 16.4 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.12 38.33 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 42' ' ' THR . 45.6 p90 -126.18 144.23 50.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.576 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 26.5 m -129.95 122.58 28.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -128.59 112.37 14.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.997 0.427 . . . . 0.0 109.971 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -100.33 105.54 17.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.229 0.537 . . . . 0.0 110.667 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.41 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 49.0 ttm -93.17 121.34 34.43 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.295 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 55.9 mt-10 -116.65 154.91 29.72 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' CB ' ' HB2' ' A' ' 62' ' ' MET . . . -78.26 135.24 37.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 169.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -67.52 -17.06 64.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.172 0.51 . . . . 0.0 110.237 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.29 -22.72 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.454 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -21.51 44.06 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.077 -0.583 . . . . 0.0 113.164 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -74.44 -14.87 60.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -174.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.414 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 56.7 mtt -128.54 146.56 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.45 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -179.68 140.82 4.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.11 -0.566 . . . . 0.0 111.874 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 55' ' ' MET . 13.6 p90 -151.94 151.93 31.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.39 116.26 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.288 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.96 113.24 26.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.087 0.47 . . . . 0.0 110.75 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.23 132.44 54.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.982 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.06 168.09 24.69 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.154 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -128.38 133.5 48.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.777 0.322 . . . . 0.0 110.361 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -76.51 113.66 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.145 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 p -83.66 -36.23 23.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.012 0.434 . . . . 0.0 110.357 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 33.0 mmtt -141.89 119.03 11.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.15 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.31 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.917 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.503 HG12 ' HD3' ' A' ' 77' ' ' LYS . 18.2 t -108.96 96.53 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.6 tt0 -57.37 132.88 54.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.555 -173.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.67 9.14 6.8 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.257 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.503 ' HD3' HG12 ' A' ' 74' ' ' VAL . 60.6 tttp -131.48 -67.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -158.01 161.08 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 0.0 112.103 -173.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.0 mt -132.94 127.62 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.779 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 41.7 mt-10 -113.83 130.59 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -152.67 151.59 30.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.528 . . . . 0.0 111.239 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.499 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.11 125.21 52.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.43 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -122.57 124.03 42.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.131 0.491 . . . . 0.0 110.9 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.62 -103.64 0.72 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.643 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -114.86 -4.23 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.448 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . 78.8 mtm-85 -137.36 161.36 36.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.032 -175.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.3 t -114.29 161.51 17.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -142.7 138.28 30.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.353 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -118.24 114.18 22.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.559 HG21 HG13 ' A' ' 103' ' ' VAL . 52.3 t -106.19 126.33 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 134.48 53.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.773 0.321 . . . . 0.0 111.059 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.24 107.57 19.43 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.17 110.33 22.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.689 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.557 ' HG2' HG21 ' A' ' 99' ' ' VAL . 33.1 mt-10 -74.37 117.07 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.559 0.695 . . . . 0.0 111.117 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.522 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -106.97 164.9 13.84 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.019 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.74 -11.26 25.75 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.537 2.158 . . . . 0.0 112.507 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -106.06 -2.42 22.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.646 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.08 -174.4 21.71 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.821 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.557 HG21 ' HG2' ' A' ' 94' ' ' GLU . 48.9 t -94.54 118.77 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.068 0.461 . . . . 0.0 110.844 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -93.88 108.6 20.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.211 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.5 t -87.13 109.05 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.874 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -102.14 112.77 25.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG13 HG21 ' A' ' 90' ' ' VAL . 51.1 t -104.53 107.57 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.971 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -106.65 104.55 14.26 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 46.8 p90 -116.47 143.52 45.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -174.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 86' ' ' ARG . 95.1 t -72.12 117.85 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.75 146.94 32.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.236 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.0 134.23 52.77 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.664 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.2 p -73.27 -11.27 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.031 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -62.24 -21.21 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.137 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -125.74 155.08 73.11 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.216 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HG2' ' HG2' ' A' ' 115' ' ' GLN . 8.7 Cg_endo -52.75 115.31 2.16 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.41 2.073 . . . . 0.0 112.219 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.481 HG13 HD12 ' A' ' 3' ' ' ILE . 97.3 t -61.26 -40.05 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.057 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.81 -48.93 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.337 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.425 ' HG2' ' HG2' ' A' ' 112' ' ' PRO . 4.8 pp0? -73.8 -22.47 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.013 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -72.92 -47.29 46.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.512 ' HB2' HD13 ' A' ' 3' ' ' ILE . 35.6 tt0 -68.36 -54.97 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.342 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -61.76 -33.21 73.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.032 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.434 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.31 -57.0 22.04 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.17 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 66.9 m95 -70.1 -33.59 72.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.367 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -61.74 -46.44 89.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.561 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.1 mt -62.35 -41.94 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.955 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.505 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 77.8 mt -67.05 -36.72 82.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 111.266 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.44 -38.35 74.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.459 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.578 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 51.2 t30 -68.71 -39.15 80.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.917 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.52 -43.45 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.388 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -51.85 -55.37 20.42 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.146 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -61.43 -38.27 86.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.854 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -62.3 -39.51 93.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.186 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 52.2 t -82.3 -53.13 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.484 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.49 -41.67 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -171.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -6.38 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.297 0.57 . . . . 0.0 110.51 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -96.49 -3.98 42.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.652 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 11' ' ' ALA . 94.3 mt -85.69 1.25 50.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.034 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.07 -166.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.773 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -71.51 116.29 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.482 -173.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -100.26 -61.48 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.102 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.5 m170 48.31 -98.81 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.819 0.699 . . . . 0.0 111.606 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -143.04 21.45 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.079 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -74.26 151.39 39.9 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.787 -175.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.197 -0.906 . . . . 0.0 109.321 177.784 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.95 144.38 42.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.1 mt -117.99 124.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 m -111.93 111.08 21.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.976 0.417 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.63 140.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.226 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 168.12 11.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.514 0.674 . . . . 0.0 111.506 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.67 HG22 ' HD3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -165.03 116.75 1.17 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.789 -179.123 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.5 m -98.57 108.99 21.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.497 HG21 ' HB3' ' A' ' 128' ' ' LYS . 15.1 t -90.95 138.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.642 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 11.99 1.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.796 ' HB1' HD11 ' A' ' 135' ' ' LEU . . . -104.17 149.36 37.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.561 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.6 155.06 55.57 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.581 2.187 . . . . 0.0 111.78 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' A' ' 99' ' ' VAL . 7.1 p -62.1 -26.75 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.893 -172.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.49 -42.99 99.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.153 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.0 -41.65 70.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 110.417 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.83 -47.51 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.721 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -57.2 -48.92 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -64.14 -46.83 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.322 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.24 -17.89 62.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -92.3 -25.29 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.78 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -100.44 -20.87 15.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.7 m -85.02 114.72 57.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.451 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.9 Cg_endo -59.39 -24.21 73.63 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.078 2.519 . . . . 0.0 112.49 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.84 -44.21 90.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.95 -35.21 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.57 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.451 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 64.2 mt -54.23 -44.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.294 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -61.59 -14.56 31.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.755 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -95.54 -41.29 9.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.427 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 45.6 p-90 -102.7 -12.26 17.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -83.35 83.09 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.843 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.12 108.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.317 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.0 -42.9 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 110.312 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -98.14 145.86 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.173 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.54 -26.9 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' A' ' 57' ' ' ALA . 33.4 t70 -83.16 -20.64 34.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.256 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -97.22 151.13 20.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.743 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.26 161.08 33.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.244 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.428 HG21 ' HB1' ' A' ' 41' ' ' ALA . 13.7 m -85.67 110.35 19.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.133 0.492 . . . . 0.0 109.752 174.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -83.11 -35.11 25.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.642 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.98 130.02 19.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.198 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.428 ' HB1' HG21 ' A' ' 38' ' ' THR . . . -134.55 110.13 9.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.906 0.384 . . . . 0.0 111.117 -175.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -116.49 113.56 22.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.824 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.37 107.66 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.953 0.406 . . . . 0.0 110.573 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 20.9 t70 -94.98 90.59 6.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.37 0.605 . . . . 0.0 109.725 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -78.42 98.41 6.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.575 -173.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -170.4 156.44 5.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 112.62 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.02 -6.9 40.62 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -172.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.47 -178.61 51.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.102 -0.571 . . . . 0.0 111.858 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 44' ' ' ASP . . . -142.53 148.63 37.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.1 0.476 . . . . 0.0 111.486 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -113.41 155.18 25.71 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 m -147.15 113.58 5.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.916 0.389 . . . . 0.0 110.31 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -121.74 115.29 22.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.467 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 17.9 tpp180 -82.74 112.84 19.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.9 mmm -104.14 114.64 29.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 62.6 mt-10 -124.8 159.89 29.97 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 111.301 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . . . -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.617 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.595 ' HZ2' ' HB3' ' A' ' 58' ' ' LYS . 8.8 mtpm? -70.12 -48.5 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.47 -176.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.72 -0.53 18.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.531 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.9 -148.79 14.26 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.15 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -117.19 -30.56 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.259 -0.47 . . . . 0.0 111.605 -174.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 91.5 mmm -69.39 151.31 46.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.501 0.667 . . . . 0.0 112.569 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -175.33 138.4 4.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 175.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -152.54 156.68 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.283 0.541 . . . . 0.0 111.095 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.79 126.5 35.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -106.26 106.28 16.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.38 159.01 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.202 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.48 159.2 32.27 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.668 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 m -103.33 131.85 50.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.607 0.203 . . . . 0.0 110.61 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -75.81 114.9 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 p -86.89 -36.71 18.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -150.58 124.05 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.466 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 64.6 t -134.02 129.15 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.52 HG12 ' HB3' ' A' ' 77' ' ' LYS . 3.3 p -141.15 134.02 30.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.18 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.45 131.5 42.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.357 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.422 ' HB2' HG21 ' A' ' 13' ' ' VAL . 11.3 p30 48.03 25.48 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.075 1.35 . . . . 0.0 113.802 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.52 ' HB3' HG12 ' A' ' 74' ' ' VAL . 55.8 tttp -125.36 -64.9 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.372 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -157.11 140.22 15.42 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.193 0.52 . . . . 0.0 111.54 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.2 mt -120.31 118.5 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.706 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.35 130.28 56.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.173 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.91 153.96 40.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.08 123.19 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -118.65 108.71 15.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.25 0.547 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.76 -119.09 8.03 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.356 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -101.48 -0.58 34.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.643 0.735 . . . . 0.0 109.892 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -108.64 163.62 13.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.912 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 t -143.68 157.18 44.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.22 142.66 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.663 0.268 . . . . 0.0 111.204 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -118.26 112.54 20.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.877 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.6 t -104.7 112.87 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -107.71 141.55 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -112.39 103.95 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.88 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.78 119.28 38.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.432 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.24 122.24 26.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.406 0.622 . . . . 0.0 111.927 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.21 27.13 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.607 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.67 -12.1 32.19 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.272 1.981 . . . . 0.0 112.706 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.44 -14.43 15.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.691 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.07 -159.73 32.22 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.911 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' A' ' 13' ' ' VAL . 57.4 t -112.27 123.42 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.226 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 m -91.11 103.24 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.805 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.91 124.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -112.85 117.02 30.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.229 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.48 107.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.863 0.364 . . . . 0.0 110.314 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -111.18 109.01 18.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.18 153.05 43.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.002 0.43 . . . . 0.0 111.312 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.98 117.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 147.17 28.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.592 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 111' ' ' TYR . 8.6 tp10 -63.27 125.6 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 p -79.26 -21.8 45.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.168 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -79.58 -21.78 44.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.5 ' CD2' ' HG2' ' A' ' 108' ' ' GLU . 16.5 m-85 -100.63 151.17 37.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.494 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 15.4 Cg_exo -68.78 138.47 41.17 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.683 2.256 . . . . 0.0 112.037 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.3 -39.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.62 -53.46 51.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.809 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 34.2 tt0 -63.79 -42.09 97.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.354 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.84 -40.59 79.35 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.844 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.39 -43.67 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.603 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -73.04 -29.87 63.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.875 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -77.89 -50.83 6.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.262 -0.494 . . . . 0.0 112.985 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.19 -33.8 76.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.632 0.216 . . . . 0.0 110.896 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.66 -33.22 70.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.27 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.327 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.03 -42.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.329 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 35.6 mt -63.23 -36.88 85.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.684 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 91.4 m-20 -62.19 -56.56 17.53 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -54.42 -43.64 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.447 ' O ' HG22 ' A' ' 131' ' ' VAL . 74.9 t80 -54.19 -56.64 16.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.348 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.67 ' HD3' HG22 ' A' ' 7' ' ' THR . 22.1 pttm -71.01 -25.19 62.57 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.315 -177.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.684 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 33.2 mmm-85 -64.11 -45.91 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -60.52 -37.09 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.047 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.449 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 59.4 t -80.14 -54.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -70.14 -30.91 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.1 t -75.61 -13.08 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.986 0.422 . . . . 0.0 110.133 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -92.19 -24.44 19.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.578 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.796 HD11 ' HB1' ' A' ' 11' ' ' ALA . 84.0 mt -69.34 109.49 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.422 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.429 ' HB3' ' H ' ' A' ' 137' ' ' HIS . 1.1 tm-20 47.21 -121.34 1.22 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.768 0.667 . . . . 0.0 110.553 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.429 ' H ' ' HB3' ' A' ' 136' ' ' GLU . 57.8 m80 58.47 24.61 12.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.841 0.353 . . . . 0.0 111.298 -178.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -117.17 94.38 4.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.971 -175.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -86.03 109.84 19.08 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 172.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -107.8 -16.23 14.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.869 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -145.47 80.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.762 0.315 . . . . 0.0 110.675 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.538 178.518 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.61 0.243 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -107.22 110.29 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 61.8 mt -98.81 133.9 39.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.07 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -116.84 112.56 21.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -113.64 167.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.375 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.28 165.99 34.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 111.848 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.531 ' CB ' ' HB3' ' A' ' 124' ' ' LEU . 0.9 OUTLIER -163.98 117.91 1.48 Allowed 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.167 -176.093 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 92.4 m -95.12 119.57 33.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.871 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -100.51 146.84 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.636 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.25 12.54 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 111.461 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' ' 135' ' ' LEU . . . -103.78 153.83 38.44 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.76 151.05 85.49 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.357 2.038 . . . . 0.0 111.262 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.19 -25.55 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.101 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.0 90.18 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.257 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.76 -39.66 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.599 -0.353 . . . . 0.0 110.463 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.45 -46.96 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -56.89 -49.47 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.163 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -67.46 -44.22 79.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.165 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -79.55 -14.72 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.519 ' HB ' HD21 ' A' ' 45' ' ' LEU . 33.6 p -115.22 -9.2 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.9 m -91.94 110.28 42.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 11.2 Cg_endo -53.74 -38.87 85.23 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.339 2.693 . . . . 0.0 113.238 -173.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-10 -62.94 -34.77 78.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.4 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 13.1 t70 -83.66 -40.2 19.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 22' ' ' THR . 82.4 mt -51.48 -45.46 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.607 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.648 ' HZ2' ' HB2' ' A' ' 27' ' ' LYS . 10.7 mtmp? -56.52 -17.85 9.69 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 25' ' ' ASP . 56.2 mt-30 -86.85 -19.49 28.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 -174.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.541 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 55.7 p-90 -129.91 -14.62 3.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -77.42 85.0 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.152 0.977 . . . . 0.0 111.374 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.73 133.53 5.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.351 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 -22.02 38.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.474 0.654 . . . . 0.0 110.263 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 p -157.03 160.05 38.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.909 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.24 -3.85 35.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.404 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.64 -24.13 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.305 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -109.07 155.0 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.66 131.0 9.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.335 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -78.24 112.06 14.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.299 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -83.94 -37.08 22.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.015 0.436 . . . . 0.0 110.86 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.81 127.37 26.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.68 116.19 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -120.73 116.38 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.641 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.19 120.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.142 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -106.19 90.54 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.519 HD21 ' HB ' ' A' ' 21' ' ' THR . 32.0 tp -81.4 101.86 10.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.409 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -174.0 172.27 3.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.342 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.28 116.25 10.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.52 71.86 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.325 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.98 15.88 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.15 155.37 25.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 p90 -127.19 143.76 51.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.935 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 m -124.37 125.91 45.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.31 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 p -128.44 115.71 18.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.342 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -83.32 106.59 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.9 mmt -92.69 116.27 28.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.949 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.004 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.99 136.04 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.56 -21.41 64.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.23 -15.76 51.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.546 0.212 . . . . 0.0 111.295 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.55 16.32 80.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.603 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -80.22 -45.11 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.258 0.551 . . . . 0.0 110.162 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.5 mtm -122.72 155.67 35.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.8 138.52 3.83 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -161.44 154.24 20.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.924 0.393 . . . . 0.0 110.419 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.69 110.12 22.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.241 0.543 . . . . 0.0 109.806 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.3 110.55 14.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -117.91 129.84 55.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.86 145.77 16.95 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 m -105.65 124.9 50.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.36 112.84 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.998 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 p -83.98 -38.64 20.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -145.38 118.37 8.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.132 0.491 . . . . 0.0 110.572 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.04 120.44 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.595 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' A' ' 77' ' ' LYS . 3.3 p -132.82 124.5 50.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.721 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.24 131.59 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.147 -170.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 63.78 16.29 9.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.142 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.512 ' HB2' HG12 ' A' ' 74' ' ' VAL . 31.8 mmtp -119.82 -71.75 0.72 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 111.049 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 10.1 ptp85 -158.29 151.41 22.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.24 0.543 . . . . 0.0 111.352 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.1 111.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.282 174.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -108.38 123.28 48.6 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.66 144.36 41.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 110.5 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -109.81 122.62 47.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.226 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -107.88 110.35 22.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.336 0.589 . . . . 0.0 110.001 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -104.49 1.5 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.817 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -114.1 -13.46 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.653 0.263 . . . . 0.0 111.078 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -119.6 142.74 48.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 111.054 -174.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.1 t -109.81 162.38 14.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.287 0.565 . . . . 0.0 112.102 -172.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.06 131.8 35.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.635 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -114.02 111.99 22.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.526 HG23 HG11 ' A' ' 103' ' ' VAL . 59.2 t -102.61 115.77 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.142 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.4 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 42.6 mt-10 -111.08 137.7 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.002 0.429 . . . . 0.0 111.358 -177.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -102.79 108.23 19.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.635 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.31 110.6 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.04 111.41 6.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 110.733 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.97 168.32 8.4 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.96 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.74 -34.57 72.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.141 1.894 . . . . 0.0 111.844 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.94 -5.24 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.286 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.97 -135.8 5.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.465 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.89 118.33 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.467 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 34.8 m -91.73 106.64 18.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.512 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.51 105.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.753 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -104.13 116.93 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.526 HG11 HG23 ' A' ' 90' ' ' VAL . 60.3 t -103.33 108.04 23.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 p -99.46 104.61 16.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.566 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -122.62 154.28 38.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.802 0.334 . . . . 0.0 111.374 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.6 t -85.37 122.34 38.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.794 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.6 146.75 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.708 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.02 119.34 30.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 p -69.83 -7.38 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.381 0.61 . . . . 0.0 110.615 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.19 0.09 55.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.706 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -141.46 160.07 58.31 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.09 127.85 26.71 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.903 2.402 . . . . 0.0 112.281 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 63.1 t -62.52 -52.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.106 -174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.403 ' HG3' ' NE2' ' A' ' 115' ' ' GLN . 8.9 pt-20 -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -174.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.403 ' NE2' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mp0 -65.78 -31.48 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.726 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.435 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 51.2 mt-30 -79.78 -47.56 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -54.36 -55.09 32.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.966 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -73.12 -25.74 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.418 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.16 -55.47 21.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.148 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.435 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 87.8 m95 -63.25 -36.87 85.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.58 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.91 -39.56 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.913 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 119' ' ' GLY . 72.3 mt -60.95 -44.74 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.531 ' HB3' ' CB ' ' A' ' 7' ' ' THR . 42.5 mt -63.54 -45.31 91.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.456 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.41 -39.91 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.99 -42.95 72.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.164 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 131' ' ' VAL . 77.4 t80 -58.28 -47.34 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.316 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -52.25 -59.14 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.548 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -61.52 -38.4 87.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.847 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.55 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.57 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.2 t -67.9 -45.55 83.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.961 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.14 -38.84 87.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.321 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.3 m -73.02 -36.47 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 0.0 110.63 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -66.59 -30.31 70.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.605 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 11' ' ' ALA . 96.8 mt -56.15 143.41 33.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.24 175.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.35 22.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.41 ' H ' ' C ' ' A' ' 135' ' ' LEU . 46.3 m170 -86.9 -80.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 29.16 79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.43 1.082 . . . . 0.0 112.9 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -74.17 93.67 2.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -132.23 107.56 8.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -93.13 -66.09 0.95 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.077 171.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 121.051 0.453 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 130.8 52.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.063 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.485 HD12 HG13 ' A' ' 113' ' ' VAL . 57.0 mt -109.27 128.55 65.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -118.24 111.07 18.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.926 0.393 . . . . 0.0 110.152 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 m -121.04 134.82 63.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.675 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -134.53 164.65 26.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.148 0.499 . . . . 0.0 111.773 -176.156 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -156.33 130.57 8.68 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.362 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 46.5 m -96.17 115.01 26.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 0.0 111.041 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.4 t -90.21 135.31 26.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -3.53 28.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.387 . . . . 0.0 111.543 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB2' ' HD2' ' A' ' 15' ' ' LYS . . . -91.46 152.81 43.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 161.65 37.98 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.117 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.3 -23.16 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.241 -174.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -29.29 67.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.055 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' HD2' ' HB2' ' A' ' 11' ' ' ALA . 67.1 mttm -85.48 -51.44 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.986 0.422 . . . . 0.0 110.125 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.1 t -57.61 -47.81 84.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.049 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.442 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.8 t-105 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.716 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -81.36 -22.85 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 -29.13 61.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.328 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -83.81 -16.11 45.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.225 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.0 p -111.56 -23.22 10.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 26' ' ' ILE . 46.0 m -78.48 112.62 27.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.751 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.9 -34.28 96.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.219 2.612 . . . . 0.0 112.799 -175.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -61.9 -33.78 74.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.163 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.439 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 18.6 t70 -91.92 -30.34 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.102 -179.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -56.04 -39.67 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.129 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.8 mtmt -62.18 -8.09 5.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.952 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -94.17 -49.62 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.071 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -100.78 -8.77 22.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.447 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 44.6 t30 -71.39 89.04 0.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 33' ' ' SER . . . -171.9 118.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.522 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.85 -23.17 63.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.704 0.764 . . . . 0.0 109.523 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' A' ' 31' ' ' ALA . 23.6 m -146.5 152.88 39.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -4.2 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.539 . . . . 0.0 110.428 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 12.4 m-20 -78.81 -10.42 59.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.54 147.86 26.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.446 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -140.22 135.52 32.45 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.859 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 30' ' ' ASN . 19.6 m -73.65 111.85 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.92 -41.74 17.06 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.632 -172.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -151.97 142.43 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.44 122.18 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.036 0.446 . . . . 0.0 111.602 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -122.97 115.58 22.14 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.44 115.71 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -105.4 108.86 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.926 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.6 tp -91.62 101.8 14.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.427 -173.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -169.64 165.7 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.44 103.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.62 9.23 33.51 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.18 176.47 53.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.35 155.37 44.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.101 0.45 . . . . 0.0 110.773 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -131.3 155.04 47.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 t -149.47 113.16 5.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -127.94 120.01 26.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.097 0.475 . . . . 0.0 111.505 -173.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.615 ' HD2' ' HB2' ' A' ' 65' ' ' ASP . 49.2 mmm-85 -82.87 118.19 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.434 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 15.7 ptp -119.77 123.01 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.25 152.96 40.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.46 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.34 115.1 23.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 169.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 18.6 ptpt -62.68 -21.54 65.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -170.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.23 -18.55 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.14 -148.22 22.25 Favored Glycine 0 N--CA 1.437 -1.292 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.249 -174.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -115.21 -8.84 12.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.826 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mtp -84.32 147.06 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.276 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.69 137.43 2.2 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.127 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -161.37 177.44 10.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.737 0.269 . . . . 0.0 110.577 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.615 ' HB2' ' HD2' ' A' ' 54' ' ' ARG . 16.5 t70 -107.69 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.173 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -92.3 109.09 20.46 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.04 151.93 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.22 167.82 39.56 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.654 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -115.25 128.7 56.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.602 0.239 . . . . 0.0 110.71 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -75.33 102.78 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -83.29 -41.31 18.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 -172.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -146.02 115.59 7.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG21 HG22 ' A' ' 79' ' ' ILE . 57.7 t -124.79 120.9 59.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.754 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 77' ' ' LYS . 4.5 p -125.96 127.71 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.442 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 43.1 tt0 -57.62 134.99 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.311 -171.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 50.79 22.5 1.16 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.945 1.298 . . . . 0.0 113.609 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HB2' HG11 ' A' ' 74' ' ' VAL . 99.2 mttt -124.49 -68.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.164 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -158.49 153.52 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.137 176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 HG22 HG21 ' A' ' 73' ' ' VAL . 48.6 mt -122.46 112.99 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.535 175.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -108.89 110.53 21.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -132.83 143.18 49.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.23 0.538 . . . . 0.0 111.602 -174.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.24 126.51 51.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -124.83 111.1 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.346 0.593 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.16 -112.88 5.36 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.972 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -101.04 -7.25 23.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -110.48 167.74 9.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.264 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 t -141.66 144.67 34.25 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.95 129.43 43.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.55 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HG2' ' OE2' ' A' ' 91' ' ' GLU . 27.6 ttpp -113.24 111.49 22.13 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.689 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.71 125.31 53.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.349 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.433 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 2.6 mp0 -104.78 135.39 46.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.01 101.96 11.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 171.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.562 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 75.6 mt -93.53 111.22 22.84 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 -174.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.23 106.12 4.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.556 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.468 ' HB3' ' HD2' ' A' ' 96' ' ' PRO . . . -107.6 162.1 20.92 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.158 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.468 ' HD2' ' HB3' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -67.46 -16.76 48.21 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.153 1.902 . . . . 0.0 112.409 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -106.61 -1.17 23.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.532 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.5 -145.83 14.47 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -128.28 121.09 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.038 0.447 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 20.7 m -89.82 113.86 25.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.786 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.7 t -82.9 105.36 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.523 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 47.7 ttt180 -110.3 107.34 17.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.82 111.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.7 m -109.55 104.8 13.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.431 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -127.94 158.84 36.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.841 0.353 . . . . 0.0 111.304 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.72 125.32 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.76 136.5 49.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.092 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.92 127.06 31.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.8 p -73.05 -6.74 47.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.986 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.45 -20.29 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.265 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -112.63 157.97 38.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.867 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.67 116.99 3.62 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.37 2.046 . . . . 0.0 112.193 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.485 HG13 HD12 ' A' ' 3' ' ' ILE . 95.6 t -59.71 -42.77 89.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.6 -43.41 84.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.48 -43.03 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.85 -40.8 95.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.3 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.29 -54.57 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.972 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.77 -37.31 81.43 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.456 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.3 -58.16 15.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.227 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -67.62 -38.68 84.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -62.88 -41.64 99.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.71 -40.71 95.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.679 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.61 -39.08 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.242 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.44 -40.63 97.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -63.19 -45.97 89.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.495 177.239 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.75 -44.94 95.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.898 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PHE . . . . . 0.405 ' O ' HG21 ' A' ' 131' ' ' VAL . 57.3 t80 -60.38 -52.27 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.963 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -61.9 -38.83 89.83 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.906 -175.144 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.13 -37.78 81.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 0.0 110.12 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.439 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 52.8 t60 -58.64 -34.07 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 177.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 127' ' ' PHE . 47.4 t -80.84 -45.36 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 58.6 mt-10 -66.29 -29.93 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.295 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 p -75.92 -8.49 57.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -110.31 13.92 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.019 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.507 HD22 ' HB1' ' A' ' 11' ' ' ALA . 97.2 mt -71.37 175.85 5.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 136' ' ' GLU . 8.0 pt-20 -69.02 80.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.833 0.825 . . . . 0.0 111.938 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -90.77 125.83 35.82 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -94.07 24.36 4.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -168.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 37.8 m80 71.05 111.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.839 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -69.16 126.63 30.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -81.2 68.95 7.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.192 0.52 . . . . 0.0 110.462 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.405 176.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.935 0.398 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -123.36 120.92 34.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.511 HD11 HG13 ' A' ' 113' ' ' VAL . 63.4 mt -99.06 132.02 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -114.14 113.25 24.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.257 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.4 m -113.98 136.1 51.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.495 176.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 8.7 pt-20 -146.81 157.67 43.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.979 0.418 . . . . 0.0 111.907 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -161.36 146.17 13.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.602 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 12.4 m -97.65 124.39 41.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.982 0.42 . . . . 0.0 111.324 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' ALA . 39.6 t -97.55 132.79 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.11 11.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -108.29 149.72 39.61 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.446 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.05 146.62 95.64 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.626 2.217 . . . . 0.0 112.253 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' HB ' HG21 ' A' ' 99' ' ' VAL . 12.2 p -60.24 -26.59 37.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.647 ' HA2' HD21 ' A' ' 76' ' ' ASN . . . -57.24 -37.36 80.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.322 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.87 -39.71 17.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.665 0.269 . . . . 0.0 110.541 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.55 -42.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 63.7 t-105 -56.42 -49.42 74.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.017 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -74.35 -31.88 62.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.398 -174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.67 -23.5 63.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -93.1 -9.37 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.879 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 p -117.57 -22.07 8.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.2 m -83.65 114.34 53.0 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.556 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.5 Cg_exo -52.46 -35.9 67.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.376 2.718 . . . . 0.0 113.305 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.19 -36.01 82.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.249 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -33.44 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.725 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.56 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 75.1 mt -56.08 -44.84 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.212 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 63.5 pttt -68.02 -6.35 22.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.881 0.372 . . . . 0.0 111.396 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.9 -22.64 20.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.106 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 43.6 p-90 -121.14 -5.66 9.47 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.42 71.46 3.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.4 0.619 . . . . 0.0 110.566 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.65 136.77 7.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.572 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.37 -25.41 57.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.262 0.553 . . . . 0.0 110.746 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -157.33 172.85 17.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -65.23 -23.42 67.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.836 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.3 m-20 -62.64 -22.01 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.319 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.535 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 76.4 m95 -107.59 155.41 20.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.572 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -155.7 150.1 25.89 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 27' ' ' LYS . 5.8 m -91.77 126.58 36.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 p -92.91 -38.88 11.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.95 151.3 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.72 115.34 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 m -115.34 113.54 23.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.827 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.556 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 65.8 t -131.32 115.96 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.904 0.383 . . . . 0.0 111.37 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -104.21 108.27 19.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.8 tp -87.06 102.07 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.391 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -175.23 161.62 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.377 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.03 107.32 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.6 -2.8 32.38 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 159.73 30.86 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.88 156.4 39.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 117.208 0.504 . . . . 0.0 111.241 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 43' ' ' VAL . 45.6 p90 -127.25 144.51 51.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -141.04 107.63 5.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.213 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -114.64 132.75 56.27 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -98.05 104.09 16.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.2 ttm -100.47 114.19 27.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 44.3 mt-10 -124.95 152.08 44.61 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -98.62 150.0 22.2 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.002 0.429 . . . . 0.0 111.011 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.5 ptpt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.652 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -153.52 168.28 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.913 0.356 . . . . 0.0 110.781 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.06 130.52 55.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -104.99 106.5 17.02 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -123.36 141.83 51.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.233 -176.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -158.42 163.36 32.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.754 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -112.95 132.46 55.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -80.31 105.49 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.152 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -84.38 -40.3 18.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.835 0.35 . . . . 0.0 110.696 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 53.4 mmtt -133.59 126.56 31.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.5 0.667 . . . . 0.0 111.945 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.5 108.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.765 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.593 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 47.4 t -108.95 109.19 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 41.7 tt0 -60.07 124.68 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.993 -172.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.647 HD21 ' HA2' ' A' ' 14' ' ' GLY . 12.0 m120 65.41 24.71 11.99 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.128 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.1 tttt -139.88 -64.68 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.129 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.593 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 10.3 ptm85 -150.67 139.0 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.245 0.545 . . . . 0.0 111.5 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mt -118.23 107.73 22.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.807 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 49.8 mt-10 -106.97 112.67 25.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -134.82 164.94 26.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 0.0 111.575 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.76 120.83 35.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.915 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.418 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 12.7 p90 -111.38 108.1 17.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.529 0.68 . . . . 0.0 110.22 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.32 -111.62 3.56 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.244 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -109.72 -0.13 18.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -105.07 163.82 12.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.387 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 7.3 t -136.66 146.09 45.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.924 0.393 . . . . 0.0 110.556 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.27 142.6 30.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.203 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 10.0 ptpp? -118.8 125.57 49.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.332 0.587 . . . . 0.0 110.221 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.38 110.14 26.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.526 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -107.07 133.67 51.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.868 0.366 . . . . 0.0 110.149 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -99.59 103.82 15.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.6 mt -88.75 115.62 26.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.955 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.99 106.68 12.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.348 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 160.76 25.29 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.99 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 24.0 Cg_endo -62.82 -22.88 74.23 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.498 2.132 . . . . 0.0 112.904 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 8' ' ' THR . 7.9 pt20 -92.76 -9.88 38.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.244 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.04 -163.47 28.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.727 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG21 ' HB ' ' A' ' 13' ' ' VAL . 42.2 t -104.66 119.49 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 117.099 0.449 . . . . 0.0 111.281 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.9 m -85.25 110.28 18.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.257 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 45.7 t -81.24 106.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.569 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.411 ' HD2' HD11 ' A' ' 93' ' ' LEU . 35.8 ttt180 -104.05 113.38 26.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.505 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.1 108.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -104.03 116.71 32.72 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -130.69 153.69 48.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.414 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.6 134.24 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.927 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.69 146.85 52.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -73.98 152.08 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 p -95.12 -21.32 18.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.363 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.74 -5.85 57.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.526 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.46 147.27 36.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.616 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.59 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 39.4 Cg_exo -57.63 106.19 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.613 2.209 . . . . 0.0 112.129 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.511 HG13 HD11 ' A' ' 3' ' ' ILE . 86.7 t -55.64 -43.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.249 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.99 -41.62 92.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 29.2 tt0 -63.15 -41.91 99.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 30.2 mt-30 -67.34 -48.21 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.22 0.534 . . . . 0.0 109.823 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.18 -52.12 67.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.556 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -67.12 -28.64 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.031 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.56 -52.71 49.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.584 175.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 47.0 m95 -66.55 -37.41 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.26 -41.71 97.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.97 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.6 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 73.6 mt -61.05 -42.64 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 79.8 mt -62.8 -37.09 85.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.24 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -62.94 -43.02 99.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.492 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 52.6 t30 -67.44 -44.94 77.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.346 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 131' ' ' VAL . 55.0 t80 -59.14 -50.26 74.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.679 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -50.15 -56.63 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.161 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmt180 -65.0 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.953 -176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -62.75 -39.6 94.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' PHE . 46.1 t -70.81 -40.05 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 0.0 110.337 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -74.24 -25.92 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.653 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -87.32 -16.04 36.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.935 0.398 . . . . 0.0 110.168 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -77.21 -15.24 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.676 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.822 176.484 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.549 ' HB3' ' HB3' ' A' ' 107' ' ' ALA . 9.3 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.098 0.475 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.3 98.58 5.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.267 0.556 . . . . 0.0 109.954 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.3 mt -93.67 135.25 28.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 m -121.24 111.31 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.049 0.452 . . . . 0.0 110.327 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.8 m -113.66 142.07 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.81 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.3 pt-20 -142.95 164.64 29.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 0.0 111.542 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -159.4 151.5 20.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.973 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 51.4 m -110.88 116.68 31.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.6 t -93.68 147.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.455 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.37 11.83 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.157 0.503 . . . . 0.0 111.222 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -104.59 150.03 38.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.8 152.91 53.74 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.737 2.291 . . . . 0.0 112.138 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.53 -27.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.43 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.3 -40.94 98.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.586 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.52 -36.88 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.624 -0.339 . . . . 0.0 110.363 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.46 HG22 HG11 ' A' ' 131' ' ' VAL . 41.2 t -65.28 -42.12 93.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.6 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 54.9 t-105 -62.02 -51.75 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.947 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.91 -41.46 95.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.032 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.26 -31.77 73.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.845 0.355 . . . . 0.0 111.459 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.96 -17.53 37.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -108.12 -30.12 8.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' ILE . 27.2 m -73.36 116.7 53.76 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 110.619 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 10.9 Cg_endo -54.53 -45.26 42.33 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.255 2.637 . . . . 0.0 112.829 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 48.5 mm-40 -70.2 -15.42 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 4.2 t70 -89.58 -43.61 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.674 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 81.8 mt -52.43 -43.2 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 55.5 mtmt -61.44 -12.24 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -97.39 -8.01 30.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.674 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 60.5 p-90 -131.73 -15.17 3.11 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.92 94.31 2.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.67 111.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.069 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.37 -6.43 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.35 0.595 . . . . 0.0 110.358 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -161.42 150.96 16.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.027 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.36 -1.3 40.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 110.765 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.82 -16.03 60.15 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.16 0.505 . . . . 0.0 109.751 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -111.82 152.15 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.298 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 12.9 p-80 -141.95 135.49 29.43 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -83.85 110.97 18.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -41.77 17.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.549 -174.123 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.84 156.84 42.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.77 118.13 4.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.773 0.32 . . . . 0.0 110.97 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.4 m -112.94 115.0 27.74 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.4 t -125.53 122.49 62.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.918 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -111.2 96.84 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.99 101.31 7.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.751 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -175.73 164.09 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.966 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.8 103.59 2.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.67 -3.86 29.21 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.471 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 151.54 23.34 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.07 161.21 19.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.082 0.467 . . . . 0.0 110.969 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 p90 -130.33 144.11 51.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.93 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -143.75 122.2 12.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.157 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 t -128.15 136.35 51.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -89.4 105.2 17.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.296 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -104.85 113.79 27.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 55.5 mt-10 -122.88 149.45 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -174.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.68 142.83 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 120.72 0.295 . . . . 0.0 111.695 -176.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.29 163.18 39.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.197 0.523 . . . . 0.0 111.232 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.43 100.55 13.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.662 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -75.82 105.7 7.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.03 142.96 42.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.88 175.77 39.99 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -124.62 137.34 54.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.13 0.465 . . . . 0.0 111.202 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -78.8 98.16 6.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -90.48 -23.67 20.91 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -148.14 114.79 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.948 0.404 . . . . 0.0 109.935 -177.025 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -139.37 133.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -174.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -132.54 111.39 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.6 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 32.3 tt0 -60.01 135.62 57.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.385 -170.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 72.0 3.19 4.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.326 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.816 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 10.2 mmpt? -113.81 -77.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.612 0.244 . . . . 0.0 110.906 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -158.16 163.35 37.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 73' ' ' VAL . 60.2 mt -127.62 126.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.677 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.2 mt-10 -113.65 110.48 20.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -119.78 146.53 45.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 110.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.85 145.44 45.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 111.484 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.61 104.65 6.15 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.661 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.45 -121.82 9.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.155 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -103.64 -2.66 26.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.033 0.444 . . . . 0.0 110.8 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -107.08 152.05 24.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.513 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 t -139.37 155.95 47.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -174.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.32 130.16 34.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.554 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 104' ' ' SER . 14.8 ptpt -113.78 131.1 56.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 103' ' ' VAL . 46.5 t -111.95 111.84 37.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.63 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -106.52 134.17 50.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.873 0.368 . . . . 0.0 110.451 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -105.81 103.51 13.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.7 mt -108.28 134.22 51.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.06 114.94 15.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.276 0.56 . . . . 0.0 110.598 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.84 160.15 27.34 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.564 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 12.8 Cg_endo -58.1 -24.27 65.33 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.235 1.957 . . . . 0.0 112.371 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.88 5.37 40.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.71 -130.35 4.51 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.48 118.12 54.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.945 0.402 . . . . 0.0 110.612 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 58.4 m -88.43 110.25 20.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.202 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -85.18 105.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.258 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -106.48 110.28 22.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.096 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 90' ' ' VAL . 47.3 t -107.11 111.92 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.799 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 10.9 t -107.43 118.42 36.69 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 52.9 p90 -127.59 154.46 45.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 111.213 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -87.14 116.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.778 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 1' ' ' MET . . . -89.15 146.72 24.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.113 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.87 130.06 42.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.25 1.74 31.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -170.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.97 7.8 43.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.207 0.527 . . . . 0.0 111.043 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 70.5 m-85 -127.97 148.72 68.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 52.9 Cg_exo -52.72 120.25 7.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.403 2.069 . . . . 0.0 112.048 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 3' ' ' ILE . 48.8 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.405 -174.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 0.9 OUTLIER -68.71 -33.92 74.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -177.566 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 109.956 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 50.4 mt-30 -68.37 -50.21 54.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -56.43 -48.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.525 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mm-40 -68.69 -37.97 79.97 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.456 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.9 -53.36 46.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.405 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.472 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 80.5 m95 -60.03 -40.13 88.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.703 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -62.78 -44.23 96.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.327 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.33 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.576 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 119' ' ' GLY . 78.4 mt -59.16 -45.14 92.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.591 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -41.16 99.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.731 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -67.99 -42.0 81.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.822 0.344 . . . . 0.0 110.603 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -63.97 -39.32 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.7 t80 -60.86 -50.88 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.576 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.588 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 59.6 tttp -52.61 -53.27 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.294 0.372 . . . . 0.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -57.66 -33.62 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 110.857 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -75.05 -29.14 60.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.055 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 127' ' ' PHE . 40.3 t -82.13 -35.03 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 75.1 mm-40 -59.79 -36.75 77.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 109.953 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 p -81.24 3.22 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.394 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -95.75 3.14 54.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.451 0.643 . . . . 0.0 109.454 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.302 174.23 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.53 132.29 56.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.189 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt -108.41 134.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.767 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 m -105.8 111.24 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.843 0.354 . . . . 0.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.4 135.12 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 6.5 pt-20 -150.51 146.09 26.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.341 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.06 138.02 33.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.967 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.5 m -92.52 112.45 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.86 0.362 . . . . 0.0 110.687 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.8 t -97.25 144.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.874 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.47 11.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -111.06 151.16 42.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.786 -0.188 . . . . 0.0 110.833 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.6 Cg_exo -70.54 164.58 34.81 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.12 2.547 . . . . 0.0 112.044 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' N ' HG21 ' A' ' 99' ' ' VAL . 12.0 p -56.83 -32.86 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.61 50.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.943 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 66.9 mttm -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.688 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.33 -51.19 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.696 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 28.1 t-105 -53.62 -46.67 70.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.832 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.17 -49.99 75.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.937 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.92 -20.15 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.746 0.308 . . . . 0.0 111.753 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.504 ' HB ' HD22 ' A' ' 45' ' ' LEU . 20.5 p -102.95 -14.02 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -175.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.5 m -83.11 111.22 28.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 122.345 -0.222 . . . . 0.0 110.597 178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.495 ' HA ' HD12 ' A' ' 26' ' ' ILE . 14.8 Cg_endo -57.39 -27.62 76.62 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.189 2.593 . . . . 0.0 112.673 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' A' ' 24' ' ' GLU . 4.4 tp10 -70.04 -43.56 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.943 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.52 -37.63 83.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.304 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 22' ' ' THR . 69.5 mt -54.94 -40.93 55.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.568 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 51.3 mttp -58.92 -17.29 23.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.836 0.35 . . . . 0.0 111.68 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.527 ' OE1' ' HE1' ' A' ' 130' ' ' HIS . 96.6 mt-30 -100.34 -12.24 19.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 51.5 p-90 -127.29 -9.74 5.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.583 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.05 58.24 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.427 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.19 125.56 5.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.469 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.22 62.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.257 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -146.43 160.99 41.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.02 -7.99 53.7 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.306 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -73.55 -19.76 60.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.466 0.65 . . . . 0.0 109.503 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 60.0 m95 -102.51 162.79 12.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.578 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -148.93 132.14 16.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 m -76.81 105.66 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -35.79 25.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.566 -172.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -148.69 133.54 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.121 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HB3' ' HG2' ' A' ' 27' ' ' LYS . . . -147.6 110.44 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.939 0.4 . . . . 0.0 111.037 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -121.54 124.11 43.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.657 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 51' ' ' PHE . 93.3 t -128.9 121.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.41 -174.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.67 102.35 13.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.893 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 21' ' ' THR . 60.0 tp -80.77 91.76 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.485 0.66 . . . . 0.0 110.32 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -166.79 154.38 9.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.513 -178.846 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.33 109.29 6.74 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.56 2.59 46.99 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.533 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -93.81 153.99 21.44 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -114.17 161.89 17.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.552 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.5 p90 -134.76 147.41 50.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.845 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -139.05 117.08 11.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.217 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 23.0 t -129.79 108.6 10.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.758 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 36.9 ttp-105 -85.75 115.82 23.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.9 mtp -100.14 114.54 28.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.323 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 41.6 mt-10 -121.57 163.1 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.109 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -92.31 149.8 21.22 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 111.577 -178.281 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.854 -0.499 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -163.37 142.12 8.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.691 0.281 . . . . 0.0 110.603 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 m-20 -83.61 106.13 15.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.54 107.14 9.78 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 140.62 44.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.976 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.74 166.21 30.26 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.618 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 18.1 m -132.33 130.28 40.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.754 0.277 . . . . 0.0 110.294 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -77.66 109.95 12.08 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -84.42 -30.75 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.987 0.422 . . . . 0.0 110.639 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 31.5 ttmt -149.21 136.42 19.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.107 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.42 104.31 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.56 HG11 ' HD2' ' A' ' 77' ' ' LYS . 23.3 t -105.66 105.52 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.1 tt0 -58.76 137.25 57.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.506 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 49.29 28.28 2.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.591 1.156 . . . . 0.0 113.001 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.56 ' HD2' HG11 ' A' ' 74' ' ' VAL . 38.7 ttmt -137.86 -68.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.157 -0.339 . . . . 0.0 111.622 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NH1' ' HD2' ' A' ' 89' ' ' LYS . 9.3 ptp180 -149.5 143.76 25.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.224 0.535 . . . . 0.0 111.72 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.1 mt -117.37 118.57 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.735 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 52.2 mt-10 -112.97 117.55 32.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 110.076 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -140.23 153.54 46.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.193 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -113.25 102.97 10.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.398 0.618 . . . . 0.0 109.967 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.5 -113.37 4.05 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.475 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.48 -2.84 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 0.0 111.042 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 76.4 mtm180 -113.98 151.5 32.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.357 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.1 t -125.3 156.86 37.97 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -136.38 138.66 41.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HD2' ' NH1' ' A' ' 78' ' ' ARG . 28.7 ttpt -113.3 111.5 22.13 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 103' ' ' VAL . 48.6 t -96.11 111.82 27.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.3 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.35 134.17 51.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.93 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.01 104.09 14.25 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 102' ' ' ARG . 50.0 mt -96.26 108.4 20.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.445 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.642 ' HG2' HG22 ' A' ' 99' ' ' VAL . 29.2 mt-10 -80.52 107.27 13.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.535 0.684 . . . . 0.0 110.89 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.82 161.06 23.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.788 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -60.8 -19.87 63.53 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.684 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -99.83 5.13 45.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 110.822 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.35 175.97 14.25 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.969 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 94' ' ' GLU . 92.4 t -91.45 123.33 43.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 0.0 110.748 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 55.8 m -94.63 115.88 28.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.232 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.53 105.59 11.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' A' ' 93' ' ' LEU . 18.4 ttt180 -105.42 107.79 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.352 -174.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 90' ' ' VAL . 45.5 t -108.53 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.6 m -100.41 106.72 18.33 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 48.1 p90 -115.88 150.48 36.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.69 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.532 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 85.9 t -71.74 123.49 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.911 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.68 146.89 27.92 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.324 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 129.04 35.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.182 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.9 p -73.22 -17.39 61.35 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.912 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -94.14 6.36 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -123.18 150.68 60.51 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.895 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.56 131.0 39.96 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.567 2.178 . . . . 0.0 112.254 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.21 -37.89 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.662 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.8 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.892 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.88 -52.74 61.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.338 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.43 -41.09 96.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.69 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -69.41 -46.97 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.578 0.228 . . . . 0.0 110.808 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.49 -41.07 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.048 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.75 -51.22 60.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -67.33 -36.3 81.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.559 0.218 . . . . 0.0 111.129 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.88 -38.21 88.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 110.255 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.06 82.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.722 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 119' ' ' GLY . 74.5 mt -66.52 -42.63 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.64 -39.43 93.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 94.3 m-20 -63.14 -42.87 99.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.738 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.542 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 55.5 t30 -67.3 -41.18 85.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 0.0 109.984 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.48 -44.04 97.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.32 -47.59 81.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.703 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 41.7 mtm180 -59.6 -42.07 91.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.115 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.527 ' HE1' ' OE1' ' A' ' 28' ' ' GLN . 39.2 t60 -58.04 -40.08 80.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.929 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.57 -50.79 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.122 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.549 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 76.5 mt-10 -65.96 -32.62 74.21 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -174.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.4 t -78.68 -11.45 59.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.368 . . . . 0.0 110.35 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -100.34 -8.83 22.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 76.5 mt . . . . . 0 C--O 1.233 0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -100.35 126.84 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.809 0.337 . . . . 0.0 111.164 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.553 HD11 HG13 ' A' ' 113' ' ' VAL . 63.2 mt -110.95 123.1 66.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -103.01 111.29 23.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.965 0.412 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -115.69 137.05 50.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.655 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -133.6 160.81 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.541 0.686 . . . . 0.0 112.487 -175.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -151.85 119.6 6.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.829 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.628 ' O ' ' HE2' ' A' ' 128' ' ' LYS . 34.7 m -90.48 106.3 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.3 t -90.74 147.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.287 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 12.18 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 111.712 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -105.04 149.95 38.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.743 -178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.61 159.34 28.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.58 2.187 . . . . 0.0 111.918 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.68 -33.58 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.39 92.56 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.4 -38.82 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.719 0.295 . . . . 0.0 110.51 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.1 -41.71 79.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.49 -53.28 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -67.97 -37.06 81.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.436 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.061 0.458 . . . . 0.0 110.973 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -84.48 -16.15 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.208 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 p -107.61 -19.47 13.54 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG13 ' A' ' 26' ' ' ILE . 71.7 m -79.55 109.61 12.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 122.42 -0.175 . . . . 0.0 110.935 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.44 -32.1 95.6 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.007 2.471 . . . . 0.0 113.005 -174.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.56 -45.61 82.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.48 -30.27 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.816 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 22' ' ' THR . 70.3 mt -56.04 -41.97 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 22.8 mtpp -59.41 -16.41 23.15 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.692 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -93.82 -37.41 11.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 40.2 p-90 -107.76 -10.94 15.5 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -85.71 87.92 7.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.371 0.605 . . . . 0.0 110.813 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.57 117.18 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.317 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.1 -20.44 45.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -147.0 158.78 44.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.038 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -73.03 -1.56 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.176 0.512 . . . . 0.0 111.135 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -103.88 -2.04 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.207 0.527 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -129.63 155.74 45.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.69 152.89 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 14.6 m -74.1 114.06 12.0 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -83.88 -43.57 15.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 0.0 110.838 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.84 128.35 45.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.188 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.8 124.75 22.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.572 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -138.32 113.67 9.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.917 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.4 t -109.18 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.63 101.42 12.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -84.75 93.41 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -173.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' HG2' ' HA3' ' A' ' 49' ' ' GLY . 14.9 ptp180 -163.26 155.99 18.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.31 112.31 10.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.31 -8.36 35.33 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HG2' ' A' ' 46' ' ' ARG . . . -91.27 176.89 40.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.571 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.06 150.69 43.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.2 p90 -116.38 144.25 44.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 175.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -118.15 116.49 26.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.134 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -113.46 108.33 17.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.617 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 19.6 ttp180 -91.3 98.74 11.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.126 0.488 . . . . 0.0 110.345 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.52 113.92 22.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.693 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG2' ' CA ' ' A' ' 63' ' ' GLY . 37.6 mt-10 -127.23 157.07 40.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.63 148.27 38.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.858 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 -177.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.446 -0.696 0 CA-C-O 120.809 0.116 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -158.39 165.89 33.58 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.617 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 p-10 -126.28 141.94 51.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.026 0.441 . . . . 0.0 111.151 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.53 126.2 54.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.856 174.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.79 52.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.946 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.11 128.79 6.53 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.708 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -96.93 125.8 41.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.67 0.272 . . . . 0.0 110.542 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.81 109.21 14.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 p -85.17 -27.36 26.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.188 0.518 . . . . 0.0 110.715 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 32.7 ttmt -145.16 135.12 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.749 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.3 t -139.54 113.43 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.449 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.5 p -126.83 126.97 69.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 172.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 30.1 tt0 -67.01 130.97 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.975 -168.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.519 ' ND2' ' HG2' ' A' ' 75' ' ' GLU . 59.9 m-80 64.86 20.52 12.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.662 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HB2' HG13 ' A' ' 74' ' ' VAL . 60.2 mttm -130.64 -70.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.512 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -157.21 147.88 21.37 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.108 -176.301 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.24 111.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.686 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 2.0 mp0 -101.72 122.81 44.61 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -142.55 159.03 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 111.18 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.5 148.84 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.06 117.02 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.2 -114.15 5.6 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -173.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -108.38 -10.42 15.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.51 165.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.323 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 13.6 t -143.69 149.72 37.62 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.15 130.52 25.31 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' CB ' ' HG3' ' A' ' 80' ' ' GLU . 9.7 ptmm? -113.83 127.54 56.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 0.0 109.804 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.68 107.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.125 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 47.0 mt-10 -110.06 137.33 47.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.023 0.44 . . . . 0.0 111.176 -176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 104.14 16.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.572 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 77.4 mt -90.84 105.23 17.68 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.986 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.71 103.94 7.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -108.76 165.76 12.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.445 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 30.7 Cg_endo -64.69 -16.2 54.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.219 1.946 . . . . 0.0 112.382 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -92.84 -14.09 28.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 143.66 -156.15 26.47 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.2 t -109.41 112.28 39.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.011 0.434 . . . . 0.0 110.572 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 30.5 m -83.46 107.86 16.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.51 105.51 11.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 26.4 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 -176.245 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.35 113.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.438 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -105.31 109.66 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -121.09 151.45 39.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.132 0.492 . . . . 0.0 110.99 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.53 115.64 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.127 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.3 147.63 22.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.367 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 8.2 tp10 -80.7 136.41 36.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 p -78.46 -24.79 45.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.073 0.463 . . . . 0.0 110.933 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 5.2 mm-40 -77.72 -20.91 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.004 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.18 156.83 35.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.105 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 115' ' ' GLN . 31.2 Cg_exo -59.38 106.96 0.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.703 2.269 . . . . 0.0 112.209 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.553 HG13 HD11 ' A' ' 3' ' ' ILE . 84.4 t -61.78 -38.63 80.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 12.8 tp10 -57.69 -53.86 53.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.59 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 112' ' ' PRO . 53.1 mt-30 -64.47 -34.96 79.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.479 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.64 -46.72 86.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -63.82 -52.45 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 76.6 mm-40 -62.6 -33.1 74.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.26 -55.31 30.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.47 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 55.2 m95 -64.15 -39.77 94.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.561 0.22 . . . . 0.0 110.985 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.84 -43.04 99.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.607 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.55 93.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 119' ' ' GLY . 79.0 mt -64.82 -42.81 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 177.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 65.3 mt -62.56 -35.81 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.636 0.255 . . . . 0.0 111.557 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -63.71 -50.33 69.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.755 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.98 -39.14 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.498 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 131' ' ' VAL . 58.0 t80 -58.75 -52.03 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.395 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 8' ' ' THR . 43.5 tttm -52.64 -56.7 13.54 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.5 mtm-85 -63.34 -28.96 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.291 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.3 -37.18 74.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 127' ' ' PHE . 56.3 t -71.59 -38.76 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 42.0 mm-40 -57.42 -43.3 83.68 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t -73.88 -23.67 59.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.06 -26.47 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 11' ' ' ALA . 39.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.957 170.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' HG23 ' A' ' 109' ' ' THR . 15.1 tpt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.032 0.444 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -142.73 144.01 32.49 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 67.7 mt -105.04 136.13 40.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 m -108.92 110.89 22.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.224 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 m -118.04 137.52 51.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.4 pt-20 -140.66 157.98 44.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.049 0.452 . . . . 0.0 111.413 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -143.31 135.98 27.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.416 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -97.19 105.01 17.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.857 0.36 . . . . 0.0 110.631 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.7 t -95.66 140.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.83 12.42 13.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.041 0.448 . . . . 0.0 111.261 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -97.93 158.13 33.4 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.585 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 17.3 Cg_exo -65.31 153.76 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.446 2.098 . . . . 0.0 110.9 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.52 -23.25 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.317 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -43.24 90.76 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.428 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -73.87 -39.56 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.588 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.81 -41.16 87.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 52.7 t-105 -59.25 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.046 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -59.3 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.795 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.26 73.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.938 0.399 . . . . 0.0 111.289 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -81.04 -17.68 49.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 45' ' ' LEU . 32.6 p -113.2 3.11 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 m -101.48 99.29 10.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.506 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HB3' HG23 ' A' ' 43' ' ' VAL . 11.8 Cg_endo -56.2 -36.88 97.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.904 2.403 . . . . 0.0 113.154 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.71 -34.51 75.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -85.58 -33.9 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.21 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.589 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 75.6 mt -53.51 -36.7 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.863 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.49 -13.64 2.47 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -101.15 -15.26 17.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 60.7 p-90 -131.37 2.97 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.245 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.483 ' HB2' HG22 ' A' ' 26' ' ' ILE . 3.5 t-20 -78.92 11.97 2.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.547 0.689 . . . . 0.0 110.453 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.99 110.22 22.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.07 -7.86 59.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.632 0.73 . . . . 0.0 109.485 173.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -150.42 144.62 25.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.23 -30.15 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.693 0.282 . . . . 0.0 111.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -74.12 -7.81 53.93 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -104.67 140.16 38.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.003 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -149.01 144.25 26.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.895 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 p -83.25 -41.56 18.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.098 0.475 . . . . 0.0 111.249 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.14 141.76 40.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.784 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.21 105.83 3.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -98.11 112.74 24.59 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 23' ' ' PRO . 73.0 t -115.17 110.17 31.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.24 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -95.7 91.21 5.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.8 tp -78.32 93.85 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.42 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 46' ' ' ARG . 7.0 ptt180 -164.02 153.6 14.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.69 104.38 4.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.166 0.508 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.83 -5.15 18.68 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.17 -164.98 40.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.104 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.05 157.49 39.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.929 0.395 . . . . 0.0 111.303 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -127.61 146.56 50.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.267 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 t -139.44 121.48 15.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -126.85 133.7 50.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.661 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' THR . 19.5 mmm180 -91.46 94.39 9.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.827 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.4 mtp -90.77 113.43 25.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.35 167.13 20.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.203 -174.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.81 149.27 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.4 mttm . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.979 179.467 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -141.71 162.3 35.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.22 102.87 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.979 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -88.2 105.94 17.86 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.3 39.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.204 -174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.09 155.26 24.23 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -101.96 124.2 47.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.917 0.358 . . . . 0.0 110.74 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.25 108.97 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -92.18 -38.75 11.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.852 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 6.2 tmtm? -142.91 124.27 14.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 66.8 t -133.0 115.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 111.191 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.0 p -131.2 122.94 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.056 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tt0 -60.89 134.45 57.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.96 -172.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.95 14.21 9.15 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.935 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 74' ' ' VAL . 2.1 tmtt? -126.13 -72.0 0.67 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.262 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.795 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 12.0 ptt180 -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 111.804 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.91 109.47 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.353 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HG2' ' CB ' ' A' ' 89' ' ' LYS . 41.7 mt-10 -110.07 124.75 52.04 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -139.97 142.74 36.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 0.0 111.379 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -100.82 119.78 39.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.127 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -112.23 107.31 16.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.472 0.654 . . . . 0.0 109.987 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -112.87 4.24 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.914 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.53 -2.58 23.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.02 0.438 . . . . 0.0 110.612 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 -115.85 169.08 9.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.4 t -136.15 151.47 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.574 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.25 133.58 33.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.077 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 21.0 ptmt -119.32 129.0 54.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.272 0.558 . . . . 0.0 110.58 178.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 103' ' ' VAL . 41.3 t -110.59 111.07 34.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.834 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.795 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 7.3 mt-10 -107.19 136.57 46.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.07 103.25 15.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.017 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.9 mt -85.88 106.86 17.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.048 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.16 106.76 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.48 162.9 18.25 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.865 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -59.26 -36.17 95.53 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.275 1.983 . . . . 0.0 111.971 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -86.41 -15.75 39.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.017 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.52 -130.28 2.29 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.605 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.97 120.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 19.3 m -88.41 103.61 16.01 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 46.4 t -82.08 105.55 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.813 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -106.56 119.07 38.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.97 0.414 . . . . 0.0 110.968 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 90' ' ' VAL . 48.4 t -106.76 115.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.923 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -112.48 112.24 23.66 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 39.1 p90 -126.0 144.27 50.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.9 t -71.63 126.31 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.584 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -124.59 147.75 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -172.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.3 122.34 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.62 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -75.12 -3.8 34.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.309 0.576 . . . . 0.0 110.681 174.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.59 -15.58 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.978 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.442 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 78.1 m-85 -119.41 159.78 44.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.205 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 14.7 Cg_endo -56.39 104.46 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.569 2.179 . . . . 0.0 112.538 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 3' ' ' ILE . 62.3 t -59.89 -38.41 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.59 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.47 -43.9 80.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.329 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.37 -37.36 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.994 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.5 mt-30 -67.07 -45.86 76.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 0.0 109.688 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -55.45 -54.13 47.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.281 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.47 -32.16 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.124 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.33 -52.52 43.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.404 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -69.32 -33.68 73.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.274 . . . . 0.0 110.916 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.9 -39.26 93.26 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.64 97.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.69 -47.76 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.5 -29.91 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.07 0.462 . . . . 0.0 111.081 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 8.8 t-20 -67.15 -49.26 65.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.3 -35.55 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.128 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 131' ' ' VAL . 65.9 t80 -55.24 -49.49 71.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.304 175.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 63.2 tttp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.574 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 11.0 mmt180 -55.19 -40.78 71.14 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.501 0.667 . . . . 0.0 110.416 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -73.75 -30.62 62.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.154 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.2 t -81.35 -37.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.791 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 80.4 mm-40 -59.56 -36.7 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 176.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.3 p -79.4 2.58 21.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.409 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -99.59 -3.79 32.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.0 109.707 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.4 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -119.8 123.02 42.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.694 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -104.52 126.28 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -112.32 115.89 29.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.581 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' HB ' ' OE1' ' A' ' 121' ' ' GLN . 17.2 m -114.34 141.46 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.76 176.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 10.1 pt-20 -145.08 148.44 33.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.572 . . . . 0.0 111.913 -175.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.495 ' OG1' ' HD3' ' A' ' 128' ' ' LYS . 15.4 t -140.63 136.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.865 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 49.3 m -100.75 112.39 24.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.029 0.442 . . . . 0.0 110.837 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' ALA . 10.7 t -96.49 143.81 11.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.47 7.37 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 111.61 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -107.38 146.08 32.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.612 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.85 150.65 87.67 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.819 2.346 . . . . 0.0 112.447 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.27 -28.34 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.692 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.58 -36.53 93.34 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.591 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -82.81 -39.69 21.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.562 -0.376 . . . . 0.0 110.274 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.82 -39.3 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.47 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 56.0 t-105 -52.69 -50.35 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.502 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -79.57 -32.2 42.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.232 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.72 71.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.084 0.469 . . . . 0.0 110.902 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.32 -17.56 39.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.813 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.1 p -109.8 -3.07 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.558 ' O ' HG13 ' A' ' 26' ' ' ILE . 74.3 m -95.62 108.88 42.73 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 52.7 Cg_exo -52.02 -42.18 60.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.54 2.827 . . . . 0.0 113.423 -173.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.77 -35.07 78.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.645 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -33.84 24.25 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.565 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 70.2 mt -52.99 -43.51 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.96 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 92.2 mttt -58.52 -18.79 32.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.691 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.92 -7.7 26.73 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 39.4 p-90 -127.15 -18.87 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.086 176.686 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -78.09 94.8 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.239 0.543 . . . . 0.0 110.613 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.86 120.35 2.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.364 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.17 -13.68 56.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.269 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.426 ' HB3' ' HD1' ' A' ' 36' ' ' TRP . 35.5 t -163.93 169.15 18.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -72.07 -8.58 55.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.501 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.03 -30.77 20.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.62 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.426 ' HD1' ' HB3' ' A' ' 33' ' ' SER . 80.5 m95 -93.75 140.07 30.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.857 0.36 . . . . 0.0 110.706 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -147.44 148.1 30.91 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.328 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 9.8 m -81.49 108.48 15.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.5 31.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.363 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.8 21.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.065 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.71 120.72 7.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.937 0.399 . . . . 0.0 110.984 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.9 m -128.74 113.23 15.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.55 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.1 t -115.7 129.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -175.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.67 102.38 10.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -85.75 94.63 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.585 -171.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -168.58 159.11 9.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.967 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 43.0 mt-10 -74.55 106.54 6.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.986 0.422 . . . . 0.0 109.967 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.97 -7.51 21.62 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -173.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.24 -170.68 41.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.823 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.28 164.97 37.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.856 0.36 . . . . 0.0 111.022 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.55 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.8 p90 -127.57 142.68 51.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.937 176.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 p -115.3 111.01 20.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.999 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 66' ' ' PHE . 19.5 t -112.35 113.42 25.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.111 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -85.48 96.46 9.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.2 mmm -97.6 114.02 25.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.36 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 46.9 mt-10 -133.23 163.62 28.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.266 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.77 157.98 15.65 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.031 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -177.136 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -150.57 166.49 30.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 111.311 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.35 106.31 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.823 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 53' ' ' SER . 54.5 t80 -90.08 105.23 17.67 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.74 134.48 52.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.74 136.33 8.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.787 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 m -96.37 124.94 40.54 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -75.13 109.72 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.253 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -85.46 -40.34 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.138 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 9.1 tmtm? -152.62 129.76 11.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.188 0.518 . . . . 0.0 109.641 176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 46.3 t -129.52 141.05 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.426 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.2 p -142.59 124.08 12.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.229 0.537 . . . . 0.0 110.365 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.458 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.4 tt0 -57.72 129.49 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.515 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 63.5 23.65 13.74 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.687 174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HG13 ' A' ' 74' ' ' VAL . 83.1 tttt -134.54 -69.07 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.76 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' H ' HG13 ' A' ' 74' ' ' VAL . 20.8 ptt85 -158.49 150.99 21.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.373 0.606 . . . . 0.0 111.706 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -121.77 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.341 175.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 89' ' ' LYS . 35.0 tt0 -112.42 123.63 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.22 142.87 48.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.73 134.47 52.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -128.21 99.01 5.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.665 0.745 . . . . 0.0 109.812 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.11 -120.94 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.697 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.45 1.68 49.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.326 . . . . 0.0 111.223 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 106' ' ' VAL . 11.8 mtm180 -122.1 150.07 42.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.718 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.466 ' H ' HG12 ' A' ' 106' ' ' VAL . 11.3 t -133.72 150.63 51.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.73 134.25 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.556 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -113.39 113.12 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 178.746 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.93 109.77 22.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.881 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.82 150.06 26.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -114.28 104.37 12.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.7 mt -105.39 108.48 20.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.638 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 99' ' ' VAL . 35.8 mt-10 -70.94 114.57 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.447 0.642 . . . . 0.0 111.191 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.8 159.32 29.99 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.14 174.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 10.8 Cg_endo -55.39 -28.23 62.33 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.664 2.243 . . . . 0.0 113.188 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG3' HG21 ' A' ' 8' ' ' THR . 4.1 pt20 -93.17 -10.47 35.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.77 179.26 29.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.665 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 94' ' ' GLU . 57.8 t -90.2 117.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.022 0.439 . . . . 0.0 110.708 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.9 m -88.88 108.79 19.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.438 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' HE2' ' A' ' 127' ' ' PHE . 48.7 t -82.21 114.08 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.579 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 10.8 ttp180 -114.63 118.36 33.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.759 -173.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.3 t -103.32 107.19 21.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.7 t -101.64 107.75 19.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -124.0 148.36 47.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 86' ' ' ARG . 7.6 p -78.34 119.34 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.484 0.659 . . . . 0.0 109.254 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.77 147.43 26.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.032 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -89.31 136.17 33.17 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -14.01 49.81 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HB2' ' OE1' ' A' ' 108' ' ' GLU . 34.0 mm-40 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.206 0.527 . . . . 0.0 109.632 172.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 48.3 m-85 -82.52 139.44 44.36 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.07 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 25.3 Cg_exo -62.73 138.2 67.96 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.42 2.08 . . . . 0.0 111.808 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.07 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.05 0.452 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 10.6 mp0 -54.45 -53.78 49.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.664 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -57.79 -43.46 85.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.5 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.17 -49.26 37.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.518 -176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -65.59 -57.9 7.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.958 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -67.32 -28.36 67.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.551 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.23 -55.26 24.74 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.01 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -67.59 -35.66 79.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.428 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 47.9 tp60 -65.63 -38.51 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.515 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.94 93.7 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.889 0.376 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.67 -44.69 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.971 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 74.2 mt -64.64 -29.51 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.584 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -65.64 -52.97 47.65 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.244 0.545 . . . . 0.0 109.951 175.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.59 -42.59 97.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.833 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.5 t80 -57.52 -55.07 39.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.764 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 129' ' ' ARG . 59.5 pttt -57.01 -48.84 77.51 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.273 -174.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 15.3 ptt180 -75.25 -23.72 57.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.748 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 59.8 t60 -69.78 -41.02 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.702 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 127' ' ' PHE . 60.6 t -68.24 -42.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.386 . . . . 0.0 110.485 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -64.2 -42.91 96.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.8 p -75.25 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.933 0.397 . . . . 0.0 110.665 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 2.4 t60 -84.75 -1.84 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.73 0.776 . . . . 0.0 109.002 171.639 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HG23 ' A' ' 109' ' ' THR . 12.8 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.983 0.42 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -89.7 113.22 24.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.827 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.22 122.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -110.32 114.57 28.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.89 137.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 1.4 pp20? -143.71 147.84 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.149 0.5 . . . . 0.0 111.942 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 t -151.24 151.42 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.365 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 13.8 m -99.06 137.42 37.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 111.535 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.2 t -109.53 140.92 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.46 11.96 6.24 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -109.44 150.54 41.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.696 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.53 161.75 26.83 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 122.922 2.415 . . . . 0.0 112.221 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 99' ' ' VAL . 10.7 p -61.48 -30.62 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.714 -173.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -33.84 85.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -81.21 -42.0 21.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.14 -48.61 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.081 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 51.5 t-105 -58.06 -50.33 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.285 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -70.56 -35.19 72.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.652 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.24 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 110.699 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -83.41 -16.24 46.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.968 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -113.17 3.28 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 92.9 m -101.18 108.76 56.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.704 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.2 -47.58 19.21 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.567 2.844 . . . . 0.0 113.457 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 9.1 tp10 -54.88 -48.81 72.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.492 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 17.4 t70 -72.66 -38.06 67.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.784 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' THR . 84.3 mt -54.04 -41.71 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.397 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 10.0 mtmp? -64.67 -8.18 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.889 -176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -97.53 -23.79 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.718 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 52.4 p-90 -119.47 -16.97 8.85 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -76.96 88.96 3.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.339 0.59 . . . . 0.0 110.934 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.9 116.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.915 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.42 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.308 0.575 . . . . 0.0 110.402 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -134.82 171.09 14.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.69 4.57 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.61 -26.69 41.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.065 0.46 . . . . 0.0 109.958 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.8 m95 -109.49 163.76 13.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.424 -172.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -157.44 153.72 27.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.154 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.597 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 28.3 m -89.27 112.89 24.06 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.49 -35.57 27.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.987 -173.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.48 139.13 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.985 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -140.18 122.3 15.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.4 m -123.73 120.81 33.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.4 t -128.7 107.94 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.26 89.45 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.39 91.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.097 0.475 . . . . 0.0 110.605 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 8.8 ptm180 -172.37 153.93 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.042 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.12 120.68 11.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.01 1.3 67.44 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.766 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -99.35 160.71 19.83 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.63 161.43 27.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.366 0.583 . . . . 0.0 111.369 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -118.34 142.37 47.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.189 173.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -126.93 102.82 7.17 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.7 t -104.33 106.18 16.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 7.8 tpt180 -82.03 93.47 6.99 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.1 mtp -100.77 113.1 25.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.127 0.489 . . . . 0.0 109.964 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.488 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 54.1 mt-10 -128.14 161.52 29.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.91 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -80.41 153.59 28.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.9 mttm . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.953 177.866 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -162.27 148.76 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.2 p-10 -93.96 113.75 25.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.687 0.756 . . . . 0.0 110.589 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -89.77 117.61 28.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.202 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.03 143.26 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.38 157.01 27.03 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 m -111.83 131.79 55.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.181 0.491 . . . . 0.0 111.069 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -77.59 114.32 16.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.3 p -92.65 -39.31 11.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 10.0 ttmm -132.61 130.7 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.277 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.17 107.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.977 0.417 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.4 p -115.96 105.75 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.581 0.705 . . . . 0.0 109.311 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.3 tt0 -57.61 140.31 51.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.109 -172.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 67.46 12.05 8.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.05 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HB2' HG13 ' A' ' 74' ' ' VAL . 68.0 mttm -128.35 -75.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.278 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 20.8 ptt180 -157.77 152.56 25.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 112.41 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.0 mt -117.05 127.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.191 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 34.4 tt0 -118.81 119.77 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 38.9 p90 -134.2 155.03 50.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.004 0.431 . . . . 0.0 110.851 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.92 137.54 54.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.913 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.67 107.18 9.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.465 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.31 -130.28 29.24 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.15 1.45 56.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.904 0.383 . . . . 0.0 110.997 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -103.98 166.2 10.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t -147.11 151.46 36.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.26 125.0 18.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -113.59 117.4 31.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.273 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 103' ' ' VAL . 48.7 t -101.87 111.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.352 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 78' ' ' ARG . 28.3 mt-10 -106.45 134.66 49.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.63 102.66 12.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.492 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 82.9 mt -87.37 107.84 18.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.947 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 105.6 4.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.02 162.72 18.76 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.257 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.6 Cg_endo -59.82 -26.01 81.01 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.472 2.114 . . . . 0.0 112.961 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -91.89 -17.96 24.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.691 0.281 . . . . 0.0 111.532 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.27 -160.84 30.44 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 13' ' ' VAL . 58.7 t -108.14 123.71 63.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 117.366 0.583 . . . . 0.0 110.92 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 24.2 m -93.69 116.21 28.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.224 178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.9 t -87.32 106.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.12 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 60.4 ttt-85 -105.65 111.74 24.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.166 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 90' ' ' VAL . 46.0 t -107.16 113.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.813 0.34 . . . . 0.0 110.951 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.2 m -108.0 107.11 17.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.516 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -125.23 149.27 48.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.052 0.453 . . . . 0.0 111.429 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -86.58 114.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.306 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -119.38 149.37 41.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.371 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 111' ' ' TYR . 1.9 mp0 -73.3 151.05 41.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.984 0.421 . . . . 0.0 110.771 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.74 -9.58 55.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.97 -37.86 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.673 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 108' ' ' GLU . 95.5 m-85 -78.33 148.16 73.62 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.09 102.3 0.08 OUTLIER 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.639 2.226 . . . . 0.0 112.478 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.6 t -55.64 -36.49 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -54.79 -52.12 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.879 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -74.0 -30.59 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.193 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.6 -50.77 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.349 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.97 -41.92 88.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.67 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.6 36.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.104 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -66.37 -37.08 84.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.711 0.291 . . . . 0.0 111.055 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.72 -34.25 77.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.78 97.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.91 -41.28 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.48 -43.46 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -68.16 -38.74 82.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.815 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -62.39 -46.01 90.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 131' ' ' VAL . 66.8 t80 -60.83 -46.64 89.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.85 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 61.1 tttp -54.08 -58.51 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.122 0.264 . . . . 0.0 110.79 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.96 -34.2 69.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.029 0.443 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.492 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 45.0 t60 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.783 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' A' ' 134' ' ' HIS . 48.4 t -80.64 -35.08 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 47.5 mm-40 -58.61 -33.54 70.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.252 0.549 . . . . 0.0 109.83 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 m -91.35 -7.78 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 131' ' ' VAL . 0.3 OUTLIER -85.66 -13.67 47.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.967 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.798 176.254 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -127.28 124.77 39.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 63.1 mt -102.46 143.68 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 m -125.47 112.01 15.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.219 0.533 . . . . 0.0 110.823 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.36 159.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.973 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -155.38 160.13 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.213 0.53 . . . . 0.0 111.882 -178.084 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 12.5 t -156.66 123.25 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.068 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 32.8 m -90.12 104.67 17.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.1 0.476 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.8 t -84.35 138.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.9 11.9 6.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 111.591 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -105.61 152.73 40.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.114 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.28 149.84 83.4 Favored 'Trans proline' 0 C--O 1.239 0.545 0 C-N-CA 122.699 2.266 . . . . 0.0 112.042 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.09 -27.2 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.405 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.26 83.97 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -85.11 -39.41 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.693 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.45 -43.79 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 58.4 t-105 -60.36 -47.67 85.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.062 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -73.29 -36.18 66.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.116 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.69 81.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.834 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -81.01 -10.92 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -118.36 3.87 11.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 26' ' ' ILE . 85.2 m -104.22 103.39 38.32 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.9 Cg_endo -51.48 -41.3 60.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.672 2.915 . . . . 0.0 113.605 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.88 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.569 0.224 . . . . 0.0 111.378 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.05 -39.69 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.529 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 83.7 mt -52.64 -43.71 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -56.21 -18.19 9.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.297 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -90.74 -28.12 18.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 53.0 p-90 -116.56 -12.31 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -78.39 90.38 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.254 0.55 . . . . 0.0 110.818 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.734 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.62 -36.66 12.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' ' HD1' ' A' ' 36' ' ' TRP . 30.8 m -118.56 143.68 46.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.52 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.19 -18.5 61.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.45 -8.99 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' HG3' ' A' ' 55' ' ' MET . 71.5 m95 -111.07 165.29 12.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.935 0.398 . . . . 0.0 110.361 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.44 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.0 p80 -163.13 148.24 11.51 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -80.07 114.8 19.25 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.75 -41.89 17.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.49 . . . . 0.0 110.796 -177.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -138.41 119.5 14.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.677 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.28 103.74 10.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.386 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -108.82 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.59 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 26' ' ' ILE . 96.0 t -133.62 115.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.762 -175.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -110.02 103.19 11.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.041 0.448 . . . . 0.0 109.933 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.0 tp -76.86 102.78 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.54 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -172.98 151.56 2.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.469 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 30.2 mt-10 -70.92 106.7 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.04 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.41 -8.34 26.52 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -172.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.84 176.07 52.02 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.23 164.89 28.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 117.246 0.523 . . . . 0.0 111.031 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -127.78 152.23 48.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.502 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -140.69 104.09 4.65 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.634 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -106.94 110.57 22.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.767 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HB3' ' H ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -81.8 94.37 7.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.602 ' HG3' ' CE3' ' A' ' 36' ' ' TRP . 54.9 tpp -84.76 113.6 21.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 33.4 tt0 -130.15 152.38 49.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -174.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.66 50.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.4 mttp . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.72 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.94 147.54 29.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.773 0.32 . . . . 0.0 110.331 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.14 110.26 19.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.845 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -85.95 107.1 17.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.42 147.45 42.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.429 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 162.04 34.64 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.9 m -110.41 133.88 52.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.124 0.462 . . . . 0.0 110.96 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 92.9 m-85 -75.21 104.85 5.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -83.88 -37.02 22.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.363 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -143.57 120.75 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 72.2 t -130.15 105.93 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.38 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -115.33 118.39 58.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.4 tt0 -64.77 135.09 55.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.865 -169.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 68.53 15.48 9.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.412 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.824 ' HB2' HG13 ' A' ' 74' ' ' VAL . 75.7 mmtt -125.77 -70.2 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -157.81 152.37 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 111.073 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.9 mt -118.77 108.41 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.506 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 40.9 mt-10 -105.26 110.83 23.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.781 0.324 . . . . 0.0 110.405 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 28.2 p90 -121.33 137.75 54.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.161 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -124.87 140.65 52.73 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.844 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -123.67 96.1 4.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.19 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.08 -115.7 4.38 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.041 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.58 -12.51 22.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.794 0.806 . . . . 0.0 109.765 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -105.09 125.82 51.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.681 -172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.7 t -124.04 149.6 45.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -124.19 121.02 33.95 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.51 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 33.8 ttpt -112.85 116.45 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.19 0.519 . . . . 0.0 110.948 -174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.23 110.14 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.03 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HG3' ' HG2' ' A' ' 89' ' ' LYS . 29.7 mt-10 -106.73 133.58 51.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.974 0.416 . . . . 0.0 110.205 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -101.0 110.79 22.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.253 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.551 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.6 mt -96.7 104.22 16.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.184 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.27 107.35 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.94 162.73 18.8 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.073 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.22 -27.89 72.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.163 1.909 . . . . 0.0 112.742 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -107.11 19.11 20.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.847 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.13 -153.6 23.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.62 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.35 112.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.673 0.273 . . . . 0.0 110.432 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 48.7 m -84.67 102.98 13.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.088 0.47 . . . . 0.0 110.12 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.7 t -82.68 106.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.884 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 102' ' ' ARG . 46.9 ttp85 -106.19 119.59 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.052 0.454 . . . . 0.0 110.313 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -104.02 119.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -107.87 108.17 19.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 46.2 p90 -127.51 147.79 50.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.019 0.438 . . . . 0.0 110.978 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.65 137.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.877 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -134.22 147.29 50.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.269 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.64 146.61 24.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.1 p -81.43 -10.79 59.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.45 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -66.46 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.746 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.94 152.96 38.69 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.912 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.532 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 50.7 Cg_exo -55.76 107.56 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.731 2.287 . . . . 0.0 112.536 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.2 t -54.63 -40.44 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.649 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.8 -50.2 71.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.625 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.3 -21.7 63.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.086 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 47.7 mt-30 -76.6 -48.9 17.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.53 -53.01 63.05 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.786 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.127 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.85 -53.35 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.525 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -68.65 -36.72 78.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.712 0.291 . . . . 0.0 110.868 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.31 -39.61 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.119 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.05 91.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.67 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.116 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 72.0 mt -68.53 -31.98 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.31 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.7 -45.09 79.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 63.4 t30 -70.62 -34.08 71.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.877 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 131' ' ' VAL . 87.6 t80 -59.34 -51.76 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.162 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -54.03 -54.33 40.73 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 5.9 ptp180 -62.51 -31.15 71.87 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 -176.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.26 -39.45 28.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.238 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 96.5 t -67.55 -40.79 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.427 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -73.85 -18.74 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.032 0.444 . . . . 0.0 110.518 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -78.44 -13.38 59.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.999 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 2.4 m-70 -77.05 -19.5 57.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.042 0.449 . . . . 0.0 110.037 174.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.804 -177.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -82.34 104.59 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.38 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -91.23 119.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.566 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 m -108.62 110.4 21.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.14 0.495 . . . . 0.0 110.749 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.07 156.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.713 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -136.23 165.81 24.89 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 110.533 -179.167 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.6 ' OG1' ' HB3' ' A' ' 124' ' ' LEU . 1.2 m -158.7 115.08 2.71 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.485 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -86.08 111.4 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.064 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.2 t -101.81 141.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 174.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.44 -14.65 58.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 0.0 111.419 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.477 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -76.04 145.5 77.35 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.553 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.31 160.2 46.4 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 122.856 2.37 . . . . 0.0 112.223 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.14 -27.81 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.836 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.86 -33.77 74.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.563 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -85.64 -44.57 12.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 0.0 110.411 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.67 -43.85 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.238 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 63.4 t-105 -59.49 -45.88 90.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -71.31 -41.86 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.39 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 22.3 t80 -79.19 -16.97 55.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.206 -176.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -112.26 -7.49 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.568 ' O ' HG13 ' A' ' 26' ' ' ILE . 41.7 m -96.08 111.75 57.32 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.429 -0.169 . . . . 0.0 110.943 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 17.7 Cg_endo -56.56 -36.31 97.76 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.143 2.562 . . . . 0.0 112.885 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.55 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.972 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.74 -34.72 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.072 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 22' ' ' THR . 71.2 mt -54.9 -39.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.55 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 59.3 mtmt -61.25 -10.49 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.64 -35.09 10.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 53.5 p-90 -105.44 -10.77 16.74 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.402 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 3.3 t-20 -76.27 -3.01 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.325 0.584 . . . . 0.0 110.716 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.32 117.0 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.19 68.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.056 0.455 . . . . 0.0 111.106 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -153.81 164.84 37.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.79 -33.81 68.95 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -76.93 -6.92 54.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -116.95 148.72 41.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -148.04 154.16 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 0.0 111.399 -179.362 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.468 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 11.5 m -90.3 108.67 19.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -29.06 31.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -172.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -154.91 144.43 21.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.046 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.21 18.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.875 0.369 . . . . 0.0 110.959 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.8 m -135.17 118.84 17.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.489 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.1 t -123.45 132.65 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -172.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -122.02 102.08 7.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -84.29 97.69 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.861 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -172.75 159.43 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.539 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 72' ' ' LYS . 2.2 mp0 -68.2 104.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.0 -4.13 25.61 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.691 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.65 148.6 19.05 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -113.33 161.8 16.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.089 0.471 . . . . 0.0 111.169 -177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' HB2' HG22 ' A' ' 43' ' ' VAL . 44.7 p90 -131.36 142.42 50.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.461 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -120.45 125.8 48.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 t -125.21 118.03 25.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 54' ' ' ARG . 7.3 tpt180 -86.22 93.49 9.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.775 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 ttm -97.65 113.51 25.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.17 165.6 25.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.19 144.73 26.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' ' HB3' ' A' ' 37' ' ' HIS . 53.2 mtpt . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.402 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.79 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -149.07 153.72 38.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.064 0.459 . . . . 0.0 110.963 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.07 100.57 13.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.624 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -92.54 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.525 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.68 147.58 49.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -155.17 150.51 22.02 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.82 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 45.9 m -112.06 130.32 55.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 110.893 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -71.14 121.3 18.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -85.63 -38.68 18.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 6.2 mmtt -154.31 128.84 9.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.367 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -126.78 111.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.79 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.744 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.0 p -110.72 121.91 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tt0 -66.38 132.47 48.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.097 -167.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 67.26 18.5 10.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.835 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.744 ' HB2' HG13 ' A' ' 74' ' ' VAL . 25.5 mmtp -128.49 -73.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.625 0.25 . . . . 0.0 111.257 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -153.24 149.22 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.473 . . . . 0.0 111.012 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -116.54 115.4 48.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.562 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.506 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 44.0 mt-10 -111.48 117.7 33.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.892 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.92 150.38 49.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -114.56 116.91 29.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.371 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 20.3 p90 -101.47 109.13 20.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.204 0.526 . . . . 0.0 109.965 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -115.24 7.54 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.253 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -98.64 0.84 45.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.738 0.304 . . . . 0.0 111.032 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HG2' HG13 ' A' ' 106' ' ' VAL . 7.8 mtm180 -118.12 179.28 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 12.4 t -153.28 156.63 38.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.953 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.16 139.27 41.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.172 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 19.6 ttmm -112.8 111.66 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.11 112.46 39.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.335 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 102' ' ' ARG . 38.7 mt-10 -106.87 136.53 46.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.393 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.77 102.91 13.08 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.34 103.84 13.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.225 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.558 ' HG2' HG22 ' A' ' 99' ' ' VAL . 46.3 mt-10 -66.55 119.52 11.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.404 0.621 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.41 164.99 13.77 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.645 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.0 Cg_endo -60.39 -17.83 49.7 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.264 1.976 . . . . 0.0 112.408 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.09 3.94 26.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.689 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.32 -132.63 4.55 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.538 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 94' ' ' GLU . 97.9 t -132.28 127.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.918 0.39 . . . . 0.0 110.288 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.7 m -93.21 113.67 25.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.344 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.1 t -84.36 107.71 15.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 37.6 ttt180 -99.99 109.25 21.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.993 -176.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -109.66 107.46 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.907 0.384 . . . . 0.0 110.744 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 t -111.23 106.24 15.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -120.42 151.43 39.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.169 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 86' ' ' ARG . 4.9 p -84.55 113.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.715 0.769 . . . . 0.0 110.235 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -107.49 147.81 30.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.868 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -75.97 143.01 41.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.958 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.5 1.54 41.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.255 0.55 . . . . 0.0 110.548 173.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -75.41 -23.66 57.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.688 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -110.34 149.42 40.15 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.985 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 130.12 33.97 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.459 2.106 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.45 -40.21 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.2 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 mp0 -55.39 -53.59 54.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.598 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.56 -45.3 93.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.682 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.85 -39.33 93.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.61 -51.39 62.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 -33.99 77.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.358 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.3 47.42 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.999 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -70.25 -33.85 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.57 -40.86 98.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.446 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.56 -42.42 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.6 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 36.9 mt -64.64 -35.42 80.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.5 -39.31 85.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.754 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 43.6 t30 -69.19 -42.62 75.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 131' ' ' VAL . 92.5 t80 -55.39 -51.71 65.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.582 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.498 ' CE ' HG23 ' A' ' 7' ' ' THR . 39.4 ttmt -50.29 -53.11 30.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -67.37 -35.94 80.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.1 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -71.54 -33.08 68.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.475 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.9 t -78.75 -33.1 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -27.06 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.294 0.569 . . . . 0.0 110.112 171.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.5 m -84.4 5.36 27.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -110.37 13.46 22.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.136 0.493 . . . . 0.0 110.082 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 11' ' ' ALA . 87.7 mt . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.232 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -115.15 137.22 52.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.199 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.1 mt -106.11 110.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.0 m -98.66 110.55 23.13 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.253 0.549 . . . . 0.0 110.536 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.6 m -116.17 145.23 22.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.376 176.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 9.6 pt-20 -151.3 153.55 35.03 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.208 0.527 . . . . 0.0 111.48 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -144.84 141.17 28.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.257 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 18.0 m -101.52 111.99 24.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.693 0.283 . . . . 0.0 110.736 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 11' ' ' ALA . 12.1 t -98.39 130.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.066 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -3.84 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 15' ' ' LYS . . . -84.09 152.33 61.73 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.51 162.2 35.0 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.426 2.084 . . . . 0.0 111.785 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.18 -24.22 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.352 -175.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.35 -43.31 98.75 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.569 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 mttm -72.55 -44.45 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.162 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.01 -48.15 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.342 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -57.49 -44.52 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.98 0.419 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -73.74 -44.06 57.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.372 -173.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.19 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 111.674 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -86.37 -21.99 26.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.706 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -104.01 -25.22 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' HG13 ' A' ' 26' ' ' ILE . 56.5 m -72.31 114.76 32.45 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.46 0.172 . . . . 0.0 110.838 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.2 Cg_exo -54.08 -35.67 82.42 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.176 2.584 . . . . 0.0 113.175 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.27 -37.13 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.5 -40.0 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 22' ' ' THR . 74.8 mt -53.2 -44.51 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.171 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.7 mtmt -65.77 -8.15 19.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.754 0.311 . . . . 0.0 111.829 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -94.66 -40.0 10.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 46.3 p-90 -106.88 -17.87 14.08 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -81.08 93.71 6.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.126 0.489 . . . . 0.0 110.912 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.87 122.73 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.762 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.26 60.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.23 0.538 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -153.61 163.1 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.632 ' O ' ' HE2' ' A' ' 58' ' ' LYS . 16.2 t70 -64.64 -30.57 71.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 0.0 110.437 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.28 -22.67 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.128 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -107.27 156.19 19.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.251 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -154.69 156.36 36.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.243 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.542 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 32.7 m -86.8 113.13 22.36 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -41.44 19.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.215 0.531 . . . . 0.0 110.873 -173.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.32 120.34 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.65 112.91 21.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.2 m -112.05 113.31 25.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.768 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 75.4 t -125.32 116.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.152 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -102.48 91.37 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 104.23 6.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.631 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 46' ' ' ARG . 19.7 ptt-85 -169.28 160.84 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.606 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.31 113.02 11.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.59 -2.76 39.38 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.67 173.1 39.81 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.666 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.6 35.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.008 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -137.3 154.06 50.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.001 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -139.95 117.03 11.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -118.31 120.83 38.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.65 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 56' ' ' GLU . 18.1 mmm180 -83.55 98.09 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 45.9 ttm -96.57 111.93 23.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 38.5 mt-10 -135.8 164.29 28.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.963 0.411 . . . . 0.0 110.607 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.86 156.57 24.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HE2' ' O ' ' A' ' 34' ' ' ASP . 65.2 mttm . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.838 0.351 . . . . 0.0 111.509 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -141.81 162.39 35.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.665 0.269 . . . . 0.0 110.332 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.7 113.26 26.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 110.218 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -90.19 107.13 18.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.97 136.8 55.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.98 172.34 31.99 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.842 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -116.52 131.1 57.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.531 0.205 . . . . 0.0 110.642 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -77.12 105.78 8.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -90.94 -13.07 34.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.818 0.342 . . . . 0.0 111.331 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.918 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -147.21 117.63 7.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 176.846 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.01 106.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.429 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.5 p -128.92 118.66 47.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.484 0.659 . . . . 0.0 110.166 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.45 136.7 58.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.974 -172.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 69.04 6.46 5.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.442 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.544 ' HB3' HG13 ' A' ' 74' ' ' VAL . 57.2 tttp -120.69 -76.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.545 -177.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 HH21 ' HD3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -158.82 165.09 35.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.927 0.394 . . . . 0.0 111.878 -173.491 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -132.99 128.16 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.162 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.918 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.9 mt-10 -117.32 130.55 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.67 143.19 34.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.466 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.66 144.95 44.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.578 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -135.96 99.56 4.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 109.679 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.44 -113.52 5.38 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.145 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.1 -28.58 19.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.07 0.462 . . . . 0.0 110.785 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 8.3 mpt_? -98.19 151.63 20.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 -172.258 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.6 t -137.22 147.9 46.14 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.78 132.06 55.51 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.546 ' HE2' ' OE2' ' A' ' 80' ' ' GLU . 38.7 ttmt -112.8 111.03 21.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.057 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -110.21 111.69 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.095 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.91 134.77 54.35 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.33 104.1 16.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -104.17 106.6 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.356 -175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 42.3 tt0 -74.8 108.77 7.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.22 0.534 . . . . 0.0 110.827 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.91 166.94 10.21 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.75 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.9 Cg_endo -66.37 -8.75 21.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.29 1.993 . . . . 0.0 111.78 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -93.9 -4.44 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.968 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.94 16.34 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 61.9 t -79.26 115.97 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.181 0.515 . . . . 0.0 109.98 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.0 m -90.48 108.37 19.75 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.359 -178.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.8 t -82.6 105.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -105.07 116.48 32.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.322 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG22 HG13 ' A' ' 90' ' ' VAL . 48.3 t -112.91 110.13 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -112.38 112.83 24.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 44.5 p90 -122.0 150.43 42.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.7 122.41 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.841 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.4 147.24 50.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 -175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' CD ' ' HE ' ' A' ' 86' ' ' ARG . 4.9 mp0 -78.84 146.32 33.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -91.17 -13.44 32.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.41 ' OE1' ' HB3' ' A' ' 108' ' ' GLU . 1.6 pm0 -71.39 -29.57 65.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -82.79 141.34 44.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.592 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 34.3 Cg_exo -57.7 106.05 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.663 2.242 . . . . 0.0 112.867 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.21 -34.85 50.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.84 -47.23 67.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.575 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.32 -41.19 85.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 44.3 mt-30 -68.72 -50.52 50.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.732 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.1 -52.31 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.16 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -64.18 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.288 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.04 -52.79 38.25 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.014 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.5 m95 -68.29 -36.01 78.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.523 0.201 . . . . 0.0 111.308 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -41.18 98.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.41 96.35 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.551 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 119' ' ' GLY . 84.1 mt -60.13 -45.07 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.31 -42.32 88.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.328 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 80.5 m-20 -66.61 -40.31 88.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 66.7 t30 -64.38 -39.15 93.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 131' ' ' VAL . 64.0 t80 -59.59 -50.1 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.394 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -54.8 -49.07 71.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.293 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 64.2 mtp180 -67.38 -34.56 77.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.67 -36.4 74.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.796 0.331 . . . . 0.0 110.366 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.534 HG12 HD23 ' A' ' 135' ' ' LEU . 47.0 t -81.93 -57.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.099 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.18 -17.65 64.39 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 p -56.94 -34.86 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.706 0.289 . . . . 0.0 111.767 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -141.76 -33.57 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 131' ' ' VAL . 81.8 mt . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 113.153 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.922 0.392 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.46 114.33 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.476 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 104' ' ' SER . 67.1 mt -94.18 136.36 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.1 m -118.11 111.48 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.0 111.118 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -115.61 137.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -150.08 154.87 38.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.935 0.398 . . . . 0.0 111.488 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 145.98 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.633 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.8 m -94.8 117.98 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -99.85 143.22 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.17 7.82 5.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.343 . . . . 0.0 111.762 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -91.82 148.64 37.51 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.732 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 12.7 Cg_exo -69.4 154.03 69.73 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.828 2.352 . . . . 0.0 111.48 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.56 -29.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.54 88.95 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.088 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -84.52 -41.25 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.675 0.274 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.11 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.487 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 45.9 t-105 -55.66 -49.32 73.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.87 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.38 -43.44 81.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.326 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.6 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 111.062 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -83.96 -14.45 50.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.015 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.545 ' HB ' HD22 ' A' ' 45' ' ' LEU . 22.8 p -120.65 0.37 10.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.8 m -102.38 107.7 54.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 122.225 -0.297 . . . . 0.0 110.583 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.12 -28.5 79.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.762 2.308 . . . . 0.0 113.012 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.85 -37.8 85.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.07 -34.38 15.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.09 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 71.0 mt -53.71 -42.41 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.795 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.4 -13.74 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.356 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 59.9 p-90 -131.42 -11.62 3.56 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.4 89.07 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.075 0.464 . . . . 0.0 110.643 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -173.54 135.67 0.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.665 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.47 0.13 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 0.0 110.396 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -145.02 147.12 32.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.215 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.9 -30.61 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.548 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.23 -23.47 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.733 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -100.05 144.25 29.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.158 0.504 . . . . 0.0 111.144 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -147.28 154.08 40.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.845 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -89.32 121.03 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.686 0.279 . . . . 0.0 110.468 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 p -84.0 -42.28 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 0.0 111.253 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.54 145.5 30.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.833 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -149.15 100.8 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -95.3 113.57 25.26 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.8 t -114.67 125.56 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.18 -176.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.24 100.9 9.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.7 tp -87.03 94.15 9.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.936 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -167.95 165.98 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' OE2' ' HG3' ' A' ' 72' ' ' LYS . 44.1 mt-10 -67.45 106.15 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.91 4.64 39.02 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.236 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.81 158.07 23.18 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.77 151.61 49.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.0 p90 -117.04 142.03 47.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 44.8 m -130.97 106.02 8.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.42 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.8 p -116.56 118.73 33.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.261 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 53.5 mtp180 -89.5 106.77 18.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.7 mtp -92.48 113.74 26.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.103 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 49.3 mt-10 -125.0 147.63 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.528 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.46 141.35 44.98 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.004 0.43 . . . . 0.0 110.185 -177.845 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.787 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.08 170.91 14.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.041 0.421 . . . . 0.0 110.768 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 12.5 p-10 -117.6 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.359 0.599 . . . . 0.0 110.166 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -93.34 124.04 37.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.52 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.99 124.13 41.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.37 138.71 10.37 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -109.05 125.91 52.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.881 0.341 . . . . 0.0 110.556 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -71.05 116.75 11.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.095 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -83.83 -33.94 24.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.142 0.496 . . . . 0.0 110.147 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 21.7 ttmm -155.46 145.99 22.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -135.22 115.81 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.317 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 78' ' ' ARG . 2.8 p -117.81 109.39 27.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.663 0.744 . . . . 0.0 109.652 175.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 43.1 tt0 -58.95 131.61 51.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.357 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 68.77 10.84 8.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.394 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.23 -68.09 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.917 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 90' ' ' VAL . 23.0 ptt180 -158.96 170.62 21.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.876 0.37 . . . . 0.0 111.252 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.1 mt -131.81 129.88 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.482 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' CD ' ' HE ' ' A' ' 78' ' ' ARG . 1.5 mt-10 -114.55 122.55 46.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.203 176.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -144.53 158.82 43.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 111.125 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -129.25 147.23 51.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -133.31 110.59 10.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.9 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.85 -104.13 1.57 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.695 -176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -122.0 -2.86 9.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.455 0.645 . . . . 0.0 110.107 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -103.61 137.19 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.647 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.3 t -117.35 152.19 35.45 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 120.777 0.322 . . . . 0.0 110.222 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.23 134.07 47.82 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 34.7 ttpt -112.79 111.97 23.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.872 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.3 t -102.65 115.21 44.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.099 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 102' ' ' ARG . 32.0 mt-10 -105.93 134.09 49.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -101.06 102.94 14.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 102' ' ' ARG . 68.0 mt -94.93 100.56 12.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -72.88 106.24 4.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.56 165.38 13.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.97 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 14.3 Cg_endo -57.58 -31.42 91.67 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.694 2.263 . . . . 0.0 112.63 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.69 -43.79 18.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.024 0.44 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.22 -174.95 46.83 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -90.36 114.82 28.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.431 0.634 . . . . 0.0 110.481 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 65.6 m -86.19 113.49 22.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.234 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.36 114.2 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.576 ' HD2' HD11 ' A' ' 93' ' ' LEU . 30.1 ttt180 -111.63 123.77 50.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.761 -173.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.65 107.2 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.785 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 47.4 m -103.91 104.89 14.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -118.96 150.0 40.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.62 110.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.262 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.92 138.02 31.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.833 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -92.92 129.48 38.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.998 0.428 . . . . 0.0 110.376 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -70.9 -15.27 62.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.369 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.28 6.95 40.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -134.27 155.61 79.73 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 115' ' ' GLN . 71.7 Cg_exo -50.12 104.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.736 2.29 . . . . 0.0 112.361 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.39 -42.71 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.847 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 52.6 mm-40 -62.02 -44.96 95.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 21.2 tp60 -69.32 -33.48 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.946 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 47.8 mt-30 -61.6 -46.87 87.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 3' ' ' ILE . 34.8 tt0 -59.57 -51.68 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.825 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 96.9 mt-30 -61.1 -37.5 82.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.276 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.05 -54.33 38.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.728 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.417 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 83.8 m95 -66.27 -34.6 78.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.618 0.247 . . . . 0.0 110.841 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.12 -37.64 86.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.317 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.85 96.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.486 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.21 -43.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.213 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.21 -36.49 82.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.581 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -69.69 -42.44 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.531 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.97 -41.34 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 131' ' ' VAL . 90.7 t80 -56.9 -53.09 61.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.728 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.37 -50.28 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.364 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -60.92 -40.02 91.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.935 0.398 . . . . 0.0 110.789 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -65.89 -49.75 66.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.613 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 85.5 t -61.95 -47.58 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.482 -175.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.08 -35.66 80.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.729 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.0 m -71.91 -19.41 61.93 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.435 0.636 . . . . 0.0 110.267 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -81.11 -22.2 39.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.454 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 131' ' ' VAL . 24.4 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.229 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -119.5 126.3 50.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.17 125.19 67.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.3 m -114.18 111.75 22.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.4 m -119.04 135.12 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.265 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' ARG . 12.1 pt-20 -136.92 161.53 35.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 145.64 30.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.812 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -102.38 119.84 39.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.879 0.371 . . . . 0.0 110.46 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 11' ' ' ALA . 34.7 t -107.1 139.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 11.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -103.24 147.96 34.95 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.851 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -65.22 155.38 68.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.939 2.426 . . . . 0.0 112.165 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.58 -30.71 47.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.95 -173.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.29 -39.36 95.96 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.155 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.79 -38.1 29.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.734 0.302 . . . . 0.0 110.345 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.77 -45.32 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.535 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 65.4 t-105 -55.14 -46.67 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.55 -47.1 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.67 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.96 67.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.698 0.285 . . . . 0.0 111.347 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.95 -16.29 36.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.375 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 p -115.41 -16.82 11.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' ILE . 44.1 m -79.1 111.28 18.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 88.6 Cg_exo -49.61 -42.79 41.79 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.352 2.701 . . . . 0.0 113.158 -175.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 46.8 mt-10 -59.32 -46.35 88.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.141 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.05 -37.01 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 22' ' ' THR . 65.3 mt -53.95 -44.02 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 10.2 mtmp? -58.13 -18.39 24.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.88 -28.33 21.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.647 0.261 . . . . 0.0 111.284 -175.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.646 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 53.0 p-90 -117.51 -7.91 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.44 6.24 15.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.961 0.41 . . . . 0.0 111.427 -174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.73 124.6 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.4 7.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.454 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -124.27 171.29 9.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.035 -175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 0.58 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.422 0.629 . . . . 0.0 110.624 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.44 -23.02 20.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.293 0.568 . . . . 0.0 110.009 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.9 m95 -110.8 164.26 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.562 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -159.03 145.05 16.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.568 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -81.62 109.79 16.37 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -40.02 21.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.474 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.93 142.31 23.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.824 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -143.82 99.82 3.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.872 0.368 . . . . 0.0 110.701 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -99.89 114.27 27.38 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.822 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 51' ' ' PHE . 84.4 t -121.7 124.18 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -175.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -107.72 96.44 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.8 tp -76.5 99.11 4.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.401 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -167.84 142.34 3.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.348 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.48 112.55 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.09 1.42 38.8 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.882 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -155.26 29.82 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.18 34.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.157 0.479 . . . . 0.0 111.263 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.528 ' HB2' HG22 ' A' ' 43' ' ' VAL . 29.8 p90 -135.43 160.05 39.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.93 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -144.85 112.74 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.535 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -111.34 114.5 27.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.062 0.458 . . . . 0.0 110.307 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.7 97.33 9.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.4 mtt -93.26 114.82 27.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.482 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -122.35 147.73 45.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.746 0.307 . . . . 0.0 110.326 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -68.44 150.85 47.63 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 mttm . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.58 0.229 . . . . 0.0 111.555 -176.594 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.04 149.87 34.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -100.44 111.64 23.92 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.537 0.684 . . . . 0.0 109.808 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -78.29 106.07 9.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.2 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.6 127.56 55.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.66 138.48 9.48 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.056 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.3 m -92.34 124.88 36.72 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -71.26 103.86 2.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.428 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 p -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.673 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 26.3 mmtp -143.65 129.4 19.32 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.011 174.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.96 100.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.905 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.584 HG11 ' HD3' ' A' ' 77' ' ' LYS . 39.3 t -113.49 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.54 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 31.1 tt0 -58.94 128.34 36.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.226 -174.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.26 15.12 9.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.366 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HD3' HG11 ' A' ' 74' ' ' VAL . 57.9 tttp -129.79 -64.73 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.905 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 9.8 ptm85 -155.43 144.01 20.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.274 0.559 . . . . 0.0 111.897 -171.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.32 119.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.327 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 40.9 mt-10 -125.59 129.23 49.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.966 0.413 . . . . 0.0 110.216 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -144.3 154.9 43.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.651 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -114.26 140.55 48.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -137.09 111.06 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.223 0.535 . . . . 0.0 109.761 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.96 -112.9 5.04 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.761 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.82 -11.2 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.438 . . . . 0.0 110.43 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 41.5 mtm180 -108.22 158.03 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.047 -174.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.2 t -133.65 156.67 47.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.886 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.66 138.96 54.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.7 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -117.73 110.43 17.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -103.92 115.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.066 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.24 134.48 54.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -94.56 106.09 18.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.9 mt -103.55 134.87 46.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -94.08 117.44 30.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.333 0.587 . . . . 0.0 112.241 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -106.78 154.9 39.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -63.47 -33.44 68.85 Favored 'Trans proline' 0 CA--C 1.521 -0.172 0 C-N-CA 122.202 1.935 . . . . 0.0 112.106 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -98.6 16.06 23.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.824 -176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 147.0 163.05 10.28 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.019 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.01 132.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.926 0.393 . . . . 0.0 110.163 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.7 m -105.06 119.93 40.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.62 106.77 17.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.629 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 22.2 ttt180 -99.77 111.99 24.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.77 107.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.347 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 t -106.06 104.94 14.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -118.11 149.59 40.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.143 0.497 . . . . 0.0 111.096 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.611 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 60.3 t -74.58 136.31 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.54 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -122.89 147.01 47.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.936 0.398 . . . . 0.0 110.982 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.98 134.63 34.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -171.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.53 -34.93 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 111.653 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.06 131.51 33.0 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.665 -171.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -44.69 118.74 1.97 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.778 2.985 . . . . 0.0 113.139 -176.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.88 -30.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.448 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -51.43 -54.1 30.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.973 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.78 -40.58 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.225 -176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -66.74 -44.12 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.961 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.887 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.2 -35.16 80.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.099 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.86 42.77 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.074 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.413 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.1 m95 -66.72 -35.35 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.193 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -62.06 -43.95 97.72 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.216 -0.193 . . . . 0.0 110.972 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.309 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.44 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.78 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.35 -40.28 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.511 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 22.2 m-80 -66.62 -37.81 85.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 110.6 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 56.1 t30 -69.48 -36.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.4 t80 -58.81 -48.05 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.002 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.29 -48.3 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.824 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 39.8 mmt180 -55.75 -49.1 74.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 0.0 110.305 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -63.94 -49.0 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.978 -175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 127' ' ' PHE . 61.2 t -64.13 -44.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 52.8 mt-10 -72.69 -18.49 61.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.301 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.9 m -87.72 -5.77 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.016 0.436 . . . . 0.0 110.418 173.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.12 -1.55 31.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.099 0.476 . . . . 0.0 109.864 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 11' ' ' ALA . 79.8 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.056 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -133.84 158.62 42.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.153 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.52 127.58 75.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.171 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.0 m -106.49 111.36 23.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.72 148.74 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.934 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 11.2 pt-20 -148.41 160.26 43.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.997 0.427 . . . . 0.0 111.597 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.18 142.09 18.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.389 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 34.0 m -97.31 118.48 33.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.913 0.387 . . . . 0.0 111.311 -176.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 128' ' ' LYS . 16.4 t -100.23 143.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.785 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.63 11.67 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 111.748 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -100.28 150.29 36.79 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.731 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 12.8 Cg_exo -68.14 153.84 73.83 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 111.95 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.31 -23.92 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.56 84.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.815 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.548 0.213 . . . . 0.0 110.829 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.95 -42.41 89.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 109.993 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.31 -53.04 61.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 18' ' ' ARG . 18.5 mtp180 -63.7 -44.68 92.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.684 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -91.6 -17.61 25.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 p -110.26 -16.32 13.77 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.8 m -89.88 117.6 68.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 122.308 -0.245 . . . . 0.0 110.878 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.17 -31.5 66.05 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.22 2.613 . . . . 0.0 112.791 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -33.53 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.24 -39.07 10.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.962 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 77.6 mt -51.73 -46.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.424 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -67.46 -8.53 34.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.854 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -91.75 -43.06 9.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.746 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 43.3 p-90 -100.16 -13.9 18.75 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 64.1 t30 -77.09 84.9 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.94 0.4 . . . . 0.0 110.75 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.96 124.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.126 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.25 -28.12 61.96 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 t -133.93 152.72 51.96 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.74 -8.57 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 111.015 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.65 -18.15 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 0.0 109.719 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 56.6 m95 -96.73 161.69 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.309 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.22 157.03 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 25.2 m -86.56 113.95 22.89 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -82.84 -32.2 27.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.029 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.72 135.16 17.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.981 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -150.78 116.19 5.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.996 0.427 . . . . 0.0 111.512 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -118.33 118.1 30.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.365 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 51' ' ' PHE . 59.5 t -118.94 122.7 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 111.088 -176.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.7 101.01 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.96 109.78 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.809 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -177.81 166.98 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.03 113.79 11.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.67 -4.81 50.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.68 162.29 35.86 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.66 160.27 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.053 0.454 . . . . 0.0 111.127 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 43' ' ' VAL . 53.1 p90 -129.4 141.74 50.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.941 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 16.3 m -119.82 115.0 22.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.897 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 p -128.09 110.46 12.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.849 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 12.3 ttp180 -96.21 110.53 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.566 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 38.6 ttm -99.46 119.33 37.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.655 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 66.5 mt-10 -125.38 158.53 34.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.98 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.861 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 112.561 -0.215 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -150.89 156.04 40.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.7 0.25 . . . . 0.0 110.598 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.7 p-10 -101.19 120.11 39.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.597 0.713 . . . . 0.0 110.447 176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -107.38 118.62 37.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.31 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.53 154.23 21.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.634 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -118.34 125.81 50.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.906 0.353 . . . . 0.0 110.78 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -73.24 119.07 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.114 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.5 p -92.09 -36.0 13.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.726 0.298 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -147.49 128.04 14.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.976 0.417 . . . . 0.0 109.933 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.9 t -118.9 133.27 66.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 77' ' ' LYS . 43.8 t -130.66 112.96 23.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.21 132.31 51.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 0.0 111.066 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 67.27 18.83 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.485 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 mmtt -134.35 -70.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 0.0 111.974 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.716 HH22 ' HD2' ' A' ' 89' ' ' LYS . 10.2 ptm85 -154.4 145.23 22.52 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.0 112.117 -169.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' HB ' ' HB ' ' A' ' 90' ' ' VAL . 54.6 mt -119.94 111.13 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.254 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -111.3 112.54 24.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -137.25 151.66 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 111.117 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.29 144.3 44.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.16 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -129.73 112.98 14.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.398 0.618 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 -103.43 1.58 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.19 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -122.98 -1.95 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.763 0.316 . . . . 0.0 110.705 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -122.5 139.24 54.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.387 . . . . 0.0 111.046 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t -106.75 163.62 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.488 -174.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.72 145.56 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.946 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.716 ' HD2' HH22 ' A' ' 78' ' ' ARG . 39.7 mtmt -113.6 134.98 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 79' ' ' ILE . 61.6 t -112.89 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 168.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.99 133.3 53.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.013 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -102.83 104.51 14.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.029 0.443 . . . . 0.0 110.346 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 76.0 mt -90.45 110.89 21.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.305 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.97 111.59 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.26 159.56 29.68 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.501 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -21.42 67.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.257 1.971 . . . . 0.0 112.348 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -101.17 -1.23 34.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.605 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.19 -164.54 28.96 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.064 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.8 119.45 58.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 48.7 m -89.03 111.57 22.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.071 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -83.12 106.62 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.883 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -101.59 113.99 27.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 68.3 t -109.38 112.79 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.081 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t -110.12 106.89 16.53 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -119.74 142.82 48.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.59 122.19 24.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.65 148.16 24.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.867 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.28 118.69 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.471 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.4 p -71.99 -6.04 39.28 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.086 0.469 . . . . 0.0 111.268 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.55 2.97 48.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.663 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -129.13 150.96 76.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.145 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.18 140.36 88.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.712 2.274 . . . . 0.0 112.756 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.61 -42.09 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.692 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -47.28 -55.39 8.79 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.704 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.525 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.84 -38.57 83.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.5 -53.04 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.55 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.19 -33.88 75.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.884 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.467 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.73 -56.69 21.43 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.188 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -67.87 -34.42 76.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.646 0.26 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.55 -42.21 99.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.272 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.16 91.82 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 119' ' ' GLY . 82.8 mt -60.5 -43.82 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.394 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 103' ' ' VAL . 60.9 mt -64.28 -39.31 93.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.25 -37.47 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.09 -34.92 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 131' ' ' VAL . 76.2 t80 -58.58 -56.59 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 172.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 9' ' ' VAL . 79.4 tttt -53.21 -46.85 69.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -50.41 -54.59 20.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.085 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 80.3 t60 -68.98 -39.15 79.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 -176.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 127' ' ' PHE . 95.4 t -68.18 -41.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' HE3' ' A' ' 128' ' ' LYS . 77.9 mt-10 -69.39 -33.88 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.659 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.0 p -79.52 -2.24 41.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.158 0.504 . . . . 0.0 110.455 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 18.5 t-80 -93.43 -7.8 43.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.461 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.711 -178.238 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -118.74 117.93 30.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HG13 ' A' ' 113' ' ' VAL . 63.5 mt -88.85 130.16 38.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 m -107.7 110.03 21.77 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 121.28 0.562 . . . . 0.0 110.12 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.477 HG23 ' HB ' ' A' ' 103' ' ' VAL . 14.8 m -114.39 135.25 54.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 176.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.9 pt-20 -142.15 150.34 40.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 14.6 t -150.77 133.95 16.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.28 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 29.1 m -96.35 102.89 14.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.168 0.508 . . . . 0.0 110.611 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.19 141.0 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.426 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.37 12.15 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 111.915 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.19 148.43 35.92 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.524 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.18 155.62 64.06 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.86 2.374 . . . . 0.0 112.079 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.44 -30.23 47.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.668 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -61.92 -32.04 80.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.404 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -85.13 -39.69 17.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.739 0.304 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.467 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 69.8 mtt-85 -73.52 -40.76 63.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.209 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.53 70.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.094 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -82.41 -19.06 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 p -110.91 2.01 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.4 m -99.37 105.84 35.54 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.7 Cg_endo -52.64 -36.2 70.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.651 2.9 . . . . 0.0 113.074 -174.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 31.1 mt-10 -62.18 -38.94 90.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -82.55 -33.58 28.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.486 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 22' ' ' THR . 68.1 mt -55.24 -41.22 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.522 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 52.3 mtmt -57.47 -19.82 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 48.4 p-90 -111.04 -19.08 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.994 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -82.62 90.36 6.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.053 0.454 . . . . 0.0 110.467 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.47 105.32 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.08 -18.62 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.862 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -136.87 158.83 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.299 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.93 -31.3 72.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 19.6 m-20 -81.04 -16.57 52.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.425 -175.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' HE3' ' HG3' ' A' ' 55' ' ' MET . 80.3 m95 -114.05 146.79 39.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.82 -173.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -162.96 151.14 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.543 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 26.2 m -69.72 114.44 7.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.551 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -89.66 -42.64 11.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.064 0.459 . . . . 0.0 110.588 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.92 120.42 33.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.294 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.74 112.98 14.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -119.97 113.16 20.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 51' ' ' PHE . 90.2 t -120.48 116.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.868 -175.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -98.01 98.98 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -80.9 99.35 8.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.289 0.566 . . . . 0.0 110.995 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -172.36 157.68 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.962 . . . . 0.0 108.877 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.03 115.73 13.84 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.6 41.27 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.321 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.54 178.23 29.95 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.586 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.87 147.48 37.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.773 0.32 . . . . 0.0 110.784 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 31.8 p90 -127.44 150.15 49.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.165 178.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.5 t -135.36 126.91 28.81 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 p -128.59 106.0 8.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.907 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 35.6 ttp180 -83.1 114.22 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.42 0.629 . . . . 0.0 111.118 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.462 ' HG3' ' HE3' ' A' ' 36' ' ' TRP . 44.7 tpp -95.49 114.87 26.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.922 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HG3' ' HG2' ' A' ' 54' ' ' ARG . 48.4 mt-10 -123.48 150.62 43.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.934 0.397 . . . . 0.0 110.994 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.42 119.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.854 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.7 ptpt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.45 143.67 34.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.688 0.28 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.8 p-10 -92.08 123.51 35.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.216 0.532 . . . . 0.0 110.503 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -93.89 106.2 18.18 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -114.49 141.99 46.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.2 152.16 24.31 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.731 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.2 m -112.94 126.72 55.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.633 0.254 . . . . 0.0 110.458 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -76.25 113.95 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.197 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -88.23 -33.09 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -147.14 123.98 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.478 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.82 115.35 49.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.174 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB3' ' A' ' 77' ' ' LYS . 37.3 t -117.48 112.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.42 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.111 -172.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.24 30.55 1.48 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.878 1.271 . . . . 0.0 113.092 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.6 tttt -137.34 -66.87 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.439 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -150.58 134.51 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.272 0.558 . . . . 0.0 112.035 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.2 mt -114.72 113.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.451 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -116.43 124.28 49.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.076 0.465 . . . . 0.0 110.405 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -143.63 158.84 43.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.841 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.44 141.52 48.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.265 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.44 107.6 7.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.92 -121.08 20.88 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.132 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.56 -1.76 56.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.983 0.42 . . . . 0.0 111.238 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -120.44 171.94 8.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.552 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 t -147.13 159.33 43.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.46 137.37 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 111.453 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -113.86 112.13 22.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.859 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 103' ' ' VAL . 41.8 t -109.06 107.84 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.309 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -114.5 145.24 42.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.92 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -106.65 104.42 14.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.013 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.7 mt -96.76 106.56 18.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.174 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.55 108.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.286 0.565 . . . . 0.0 110.575 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.45 165.56 12.74 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.962 -173.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 11.1 Cg_endo -55.15 -28.62 62.0 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.776 2.318 . . . . 0.0 113.394 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HB2' HG21 ' A' ' 8' ' ' THR . 85.4 mm-40 -91.7 -10.88 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.62 0.248 . . . . 0.0 111.484 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.24 -111.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.547 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -136.82 121.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.973 0.416 . . . . 0.0 110.982 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.5 m -86.6 109.98 19.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 176.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.49 105.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -102.55 107.92 19.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.365 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 5' ' ' VAL . 44.9 t -101.72 107.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.962 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m -103.52 104.28 14.33 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -122.87 145.51 48.39 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.046 0.45 . . . . 0.0 111.193 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.0 t -76.68 129.13 37.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.798 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.53 147.1 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 10.1 tp10 -73.78 139.62 45.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.509 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 p -87.42 -13.38 43.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.425 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 43.3 mt-10 -99.16 8.2 45.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.004 0.431 . . . . 0.0 111.201 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.67 153.77 54.5 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.763 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.69 102.61 0.11 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.777 2.318 . . . . 0.0 112.317 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 3' ' ' ILE . 67.3 t -65.32 -40.92 90.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.364 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -40.62 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.46 -36.01 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.19 0.519 . . . . 0.0 110.36 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -72.19 -39.88 68.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.694 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.01 -47.44 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.905 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.21 -45.38 88.53 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.092 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.9 -52.32 52.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.193 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.78 -34.43 78.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 0.211 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.11 -40.06 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.985 0.421 . . . . 0.0 110.154 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.4 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.41 . . . . 0.0 110.19 175.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 119' ' ' GLY . 81.9 mt -63.69 -44.11 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.627 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 5' ' ' VAL . 55.2 mt -63.88 -43.74 95.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.594 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 87.5 m-20 -66.84 -33.59 75.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.668 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 64.0 t30 -69.62 -41.29 75.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.31 0.576 . . . . 0.0 109.453 176.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 131' ' ' VAL . 78.6 t80 -58.45 -48.63 80.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.06 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 8' ' ' THR . 62.2 tttm -51.6 -57.09 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.659 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 57.9 mtt-85 -58.42 -43.07 88.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.111 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.88 -42.49 90.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.815 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 90.5 t -68.47 -39.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.1 -17.73 62.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.849 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -77.56 -13.18 59.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 172.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 64.5 m80 -75.87 -19.83 58.56 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 171.361 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 11' ' ' ALA . 49.4 mt . . . . . 0 C--O 1.233 0.224 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.032 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.693 0.282 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -119.27 116.31 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.42 HD11 HG13 ' A' ' 113' ' ' VAL . 64.9 mt -93.74 134.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m -122.41 113.44 19.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.002 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.6 m -113.97 151.33 15.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.542 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 14.2 pt-20 -154.65 160.37 41.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.429 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -157.02 148.56 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.74 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -99.51 105.09 16.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 128' ' ' LYS . 12.1 t -88.01 130.83 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.879 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 12.02 4.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.045 0.45 . . . . 0.0 111.75 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -101.77 154.28 37.4 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.56 146.11 92.43 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.758 2.305 . . . . 0.0 112.045 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.22 -29.23 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.143 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.44 98.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.318 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -77.04 -37.56 54.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.73 -43.02 94.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.249 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 55.0 t-105 -57.43 -49.72 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.015 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -72.02 -35.15 69.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.825 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.083 0.468 . . . . 0.0 110.804 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -82.71 -11.77 58.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.868 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 p -117.41 -0.42 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' ILE . 88.0 m -96.01 110.3 51.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.62 -43.66 49.22 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.534 2.823 . . . . 0.0 113.554 -173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 8.7 pt-20 -71.7 -16.01 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.641 -176.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -95.38 -41.54 8.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 84.9 mt -50.93 -48.45 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.402 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.7 pttt -65.63 -6.99 12.81 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.14 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -90.68 -25.5 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 31.7 p-90 -117.28 -11.95 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -78.88 84.36 4.93 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.955 0.407 . . . . 0.0 110.347 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.88 112.62 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.931 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.25 13.0 26.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -158.96 150.63 20.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.34 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.16 -19.38 63.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.018 0.437 . . . . 0.0 109.967 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.35 -16.42 37.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.319 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.642 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 61.5 m95 -107.42 149.9 27.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -158.91 148.03 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.219 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.4 m -83.7 113.68 21.05 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -39.27 19.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.287 -175.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.56 146.97 35.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.396 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.23 130.82 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 m -141.76 125.8 17.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.6 t -132.81 125.02 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.654 0.264 . . . . 0.0 111.453 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -105.37 98.35 8.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -82.35 106.21 14.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -173.31 164.06 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 81.5 mt-10 -70.91 105.55 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 13.85 30.85 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.436 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.19 179.07 42.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.851 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.02 160.34 40.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' HB2' HG22 ' A' ' 43' ' ' VAL . 42.0 p90 -138.46 147.7 43.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.133 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 p -134.25 124.69 26.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.202 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -128.56 133.57 48.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -102.36 93.64 5.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.903 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.642 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 35.5 ttp -101.67 118.66 37.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -125.26 159.3 31.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.594 -174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.51 136.32 36.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.2 mttt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.849 -173.367 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -155.1 166.3 34.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.598 0.699 . . . . 0.0 112.168 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 102.94 14.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.832 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.87 105.34 17.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.56 146.0 47.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.698 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.87 170.13 33.1 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.865 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.0 m -117.2 132.8 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -80.43 110.72 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -84.04 -32.66 24.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 18.1 tptm -147.81 127.05 12.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 99.0 t -135.38 102.65 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.687 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -113.43 119.61 61.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.241 0.543 . . . . 0.0 109.641 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 44.8 tt0 -66.22 131.77 46.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.514 -171.31 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 68.53 28.0 6.03 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.198 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.621 ' HB2' HG13 ' A' ' 74' ' ' VAL . 35.3 mmtm -138.45 -76.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.627 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.583 ' HD2' ' HB3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -157.43 150.88 23.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 111.798 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 89' ' ' LYS . 51.0 mt -113.51 116.06 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.912 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 33.0 tt0 -110.66 123.49 50.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -147.7 160.13 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 111.287 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.359 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -128.18 118.93 24.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.64 -108.6 2.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.765 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.25 0.14 14.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.839 0.352 . . . . 0.0 110.342 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 20.8 mmt180 -118.94 135.7 54.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.387 . . . . 0.0 111.206 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.0 t -112.39 148.99 33.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.842 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.92 143.51 34.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 29.0 ttpt -127.05 112.4 15.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.327 0.584 . . . . 0.0 110.169 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -88.19 113.62 25.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.502 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -106.36 134.66 49.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.01 0.433 . . . . 0.0 110.602 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.75 108.65 20.27 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.3 mt -90.37 115.4 27.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.273 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.23 106.09 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.266 0.555 . . . . 0.0 111.058 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.37 158.16 33.28 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.373 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.4 Cg_endo -59.52 -31.04 93.93 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.454 2.102 . . . . 0.0 113.079 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -96.66 -23.89 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.97 -168.96 35.63 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.672 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.28 119.65 60.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.017 0.437 . . . . 0.0 110.517 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 28.8 m -84.96 110.37 18.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.535 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.3 t -85.19 109.49 18.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -112.37 123.91 51.32 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 90' ' ' VAL . 45.6 t -112.27 107.72 23.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -103.44 113.83 27.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -130.44 149.85 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.879 0.371 . . . . 0.0 111.173 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.35 121.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -103.09 146.92 27.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.86 -171.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.07 131.82 43.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.419 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.3 p -85.68 -11.26 54.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.265 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -82.75 -32.96 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.056 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.32 151.1 41.19 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.506 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 42.8 Cg_exo -57.22 129.25 33.21 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.794 2.329 . . . . 0.0 112.384 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 3' ' ' ILE . 65.6 t -64.76 -29.95 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.99 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.73 -56.67 12.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.434 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -32.79 73.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.196 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.0 mt-30 -68.11 -47.81 67.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.286 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -71.95 -53.11 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -63.78 -37.25 86.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.969 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.481 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.78 -58.51 13.44 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.142 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.455 ' HB3' HG21 ' A' ' 5' ' ' VAL . 41.8 m95 -63.3 -36.14 82.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.461 0.172 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -63.43 -43.74 96.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.62 96.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' GLY . 77.6 mt -62.16 -41.72 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.303 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.1 -36.87 82.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.136 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.81 -41.25 83.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -62.71 -41.16 99.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 131' ' ' VAL . 63.3 t80 -58.77 -56.04 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.654 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 9' ' ' VAL . 59.1 pttt -61.27 -42.67 99.04 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.836 -176.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 129' ' ' ARG . 48.3 mtp85 -62.67 -38.5 90.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 14.4 t60 -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 127' ' ' PHE . 39.3 t -78.49 -44.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.58 -45.2 85.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.924 0.393 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 m -72.23 -17.38 61.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 11.8 t-160 -88.54 -11.24 46.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.362 -177.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 11' ' ' ALA . 91.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.72 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.05 122.61 27.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.442 HD11 HG13 ' A' ' 113' ' ' VAL . 62.9 mt -112.09 130.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.821 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.6 m -107.73 112.82 25.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.483 HG23 ' HB ' ' A' ' 103' ' ' VAL . 16.0 m -113.85 137.7 46.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.34 145.86 34.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.203 0.525 . . . . 0.0 111.989 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -144.76 130.17 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.135 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 89.0 m -101.68 111.05 23.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.75 145.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.821 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.23 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.904 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -99.68 152.62 37.87 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.757 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.4 Cg_exo -69.66 156.0 64.77 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.504 2.136 . . . . 0.0 111.297 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' OD1' ' A' ' 76' ' ' ASN . 9.7 p -59.82 -28.17 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.979 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -60.06 -36.71 91.24 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.37 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.6 mttm -84.8 -41.19 16.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.54 -45.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.284 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.4 t-105 -56.26 -49.52 73.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 77.8 mtt-85 -67.6 -39.41 84.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 -173.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.45 -32.55 70.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 0.0 111.374 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -81.54 -15.75 53.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.19 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.429 ' HB ' HD22 ' A' ' 45' ' ' LEU . 23.1 p -108.36 -31.17 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' HG13 ' A' ' 26' ' ' ILE . 30.0 m -76.5 112.18 20.07 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 16.4 Cg_endo -57.7 -24.66 64.28 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.121 2.548 . . . . 0.0 112.585 -176.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 8.0 tp10 -66.11 -37.2 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.297 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.09 -33.59 18.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.882 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 68.4 mt -52.39 -43.93 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.679 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 33.8 mtmm -64.41 -8.07 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -91.22 -18.41 24.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.902 -0.135 . . . . 0.0 111.209 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 50.0 p-90 -132.22 -3.5 3.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.76 80.77 2.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 111.05 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -169.7 132.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.081 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.19 -23.55 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 109.701 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -156.25 158.18 37.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.088 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -69.36 -4.42 18.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.3 -11.78 59.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.844 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -106.45 148.18 28.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.174 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -137.31 139.1 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -38.32 21.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 -175.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.54 128.92 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.705 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.4 115.28 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.6 m -122.85 117.22 25.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.914 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.32 113.44 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.75 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -101.42 103.3 14.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 21' ' ' THR . 55.8 tp -80.75 100.3 8.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.448 -174.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -168.32 162.67 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.34 100.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.34 15.19 20.14 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.18 144.25 17.03 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.746 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.43 151.88 19.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.187 0.518 . . . . 0.0 111.039 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -135.24 144.62 46.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.308 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 t -146.88 121.47 9.77 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 112.06 14.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.669 HH11 ' HB2' ' A' ' 65' ' ' ASP . 19.8 mmm180 -82.79 102.65 11.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.256 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 86.3 mtp -102.3 112.57 25.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -124.52 151.94 44.04 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.1 142.49 34.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.14 164.27 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 0.0 111.057 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.669 ' HB2' HH11 ' A' ' 54' ' ' ARG . 18.1 t70 -123.95 123.56 40.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.132 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -97.29 106.29 18.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.88 128.7 49.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.017 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.24 -172.89 29.19 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.098 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.8 m -129.71 134.85 47.87 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 86.0 m-85 -73.19 111.95 8.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 p -84.35 -34.04 23.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.858 ' HB2' ' HB3' ' A' ' 80' ' ' GLU . 31.4 mmtp -137.8 138.09 38.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.731 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.04 100.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.053 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.455 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 24.3 t -104.91 100.46 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.7 tt0 -55.24 123.71 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.052 -173.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' HG13 ' A' ' 13' ' ' VAL . 48.8 m-80 67.49 22.96 9.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.269 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 21.6 ttmm -139.62 -61.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.083 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 13.0 ptp180 -152.46 151.29 30.58 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.907 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.3 mt -124.35 118.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.454 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.858 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 20.2 tt0 -115.35 122.34 45.59 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.488 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 39.2 p90 -139.85 150.76 45.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -117.98 124.61 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.92 177.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -119.45 123.64 44.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.241 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -103.83 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.627 -0.796 . . . . 0.0 111.309 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.37 -10.92 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 108' ' ' GLU . 33.3 mtm180 -109.43 135.15 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.043 -172.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 11.7 t -108.46 153.18 23.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -132.03 139.87 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -117.08 110.98 18.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.988 0.423 . . . . 0.0 110.404 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 103' ' ' VAL . 60.7 t -102.31 117.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.667 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.73 134.58 54.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 -177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -99.17 104.46 16.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.753 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 64.2 mt -88.94 105.44 17.77 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.32 106.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.285 0.564 . . . . 0.0 110.376 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.76 165.47 12.71 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.067 -175.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.4 -42.9 44.47 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 111.891 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -90.47 15.93 9.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.51 -131.06 5.62 Favored Glycine 0 C--O 1.226 -0.377 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.864 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -132.87 120.02 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.47 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 58.8 m -89.39 105.76 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.086 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.95 105.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.683 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -105.51 112.95 26.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.326 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 90' ' ' VAL . 46.4 t -102.76 109.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.165 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.2 t -107.89 107.2 17.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.28 150.99 41.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.82 106.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.446 0.641 . . . . 0.0 109.864 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.72 146.98 23.33 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.406 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 37.4 tt0 -84.64 117.25 23.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.2 t -72.52 -2.49 19.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.531 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 68.1 mm-40 -69.63 -38.85 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.612 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 51.0 m-85 -80.11 161.71 64.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.46 110.6 0.63 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.247 1.964 . . . . 0.0 111.304 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 3' ' ' ILE . 57.6 t -61.09 -45.62 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.903 -173.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.44 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -175.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -69.89 -40.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.298 -177.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.612 ' NE2' ' HB2' ' A' ' 111' ' ' TYR . 54.6 mt-30 -63.83 -48.71 75.7 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.779 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -57.54 -44.95 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.551 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.52 -46.46 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.501 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.41 -49.27 80.41 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.453 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.453 ' HB3' HG21 ' A' ' 5' ' ' VAL . 69.2 m95 -63.88 -43.16 96.87 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.12 -36.25 83.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.298 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.24 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.623 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.5 mt -61.84 -41.53 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.38 177.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -34.26 77.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.464 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -73.95 -40.13 63.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.761 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.68 -41.37 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.478 . . . . 0.0 109.793 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.6 t80 -59.78 -49.26 78.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.391 174.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.33 -51.87 65.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -54.33 -48.08 71.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.445 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.77 -43.96 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.412 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.8 t -73.18 -49.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.427 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.24 -35.99 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.291 . . . . 0.0 111.503 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -73.51 -15.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.245 0.545 . . . . 0.0 110.022 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -94.94 -3.87 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.76 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 11' ' ' ALA . 79.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.523 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -134.13 114.65 13.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.796 0.332 . . . . 0.0 110.637 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 117' ' ' GLN . 66.1 mt -92.98 123.06 44.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.3 m -103.65 111.3 23.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.382 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.77 161.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.749 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.5 pt-20 -148.42 157.99 43.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.922 0.391 . . . . 0.0 111.832 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' A' ' 124' ' ' LEU . 8.8 t -149.87 131.88 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.253 173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -98.86 105.99 18.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.682 0.277 . . . . 0.0 110.267 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 11' ' ' ALA . 17.8 t -91.33 135.56 26.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.172 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 12.09 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.118 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -108.73 153.51 42.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.65 154.4 55.01 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.53 2.153 . . . . 0.0 111.857 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.46 -29.67 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.205 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -43.92 98.67 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.2 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.86 -44.18 73.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.289 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.91 -43.6 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.601 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 48.6 t-105 -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.962 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.7 mtp180 -67.95 -44.95 75.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.94 68.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.071 0.462 . . . . 0.0 111.248 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -86.96 -18.5 30.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.013 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -114.2 1.79 14.64 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 36.0 m -95.97 113.7 62.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.635 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 72.2 Cg_exo -50.39 -40.19 53.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.615 2.876 . . . . 0.0 113.657 -175.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.063 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.8 -44.66 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.915 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.545 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 77.7 mt -52.2 -47.15 44.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.32 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -57.84 -20.93 39.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -31.7 11.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.294 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.545 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 19.4 p-90 -97.85 -14.5 20.69 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.629 -0.829 . . . . 0.0 112.445 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.93 78.01 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.474 0.654 . . . . 0.0 109.551 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.92 152.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.632 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.26 49.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.995 0.426 . . . . 0.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -173.7 165.66 4.49 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.67 -5.21 27.92 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.448 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.42 -12.29 61.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.595 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -120.7 161.82 20.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -152.28 147.7 26.67 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.528 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.547 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 84.9 m -99.57 110.78 23.2 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 p -84.04 -42.36 16.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -173.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.25 120.86 29.65 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -139.1 99.3 3.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 33.2 m -104.32 116.13 31.61 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.866 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.58 110.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.36 92.13 7.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -79.94 95.09 6.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.383 -172.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -169.57 165.46 10.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.932 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.1 115.47 11.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.48 11.56 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.57 147.62 16.4 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.12 38.33 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' THR . 45.6 p90 -126.18 144.23 50.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 26.5 m -129.95 122.58 28.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -128.59 112.37 14.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.997 0.427 . . . . 0.0 109.971 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -100.33 105.54 17.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.229 0.537 . . . . 0.0 110.667 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 49.0 ttm -93.17 121.34 34.43 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.295 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 55.9 mt-10 -116.65 154.91 29.72 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.26 135.24 37.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 169.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.0 tttm . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 121.172 0.51 . . . . 0.0 110.237 -174.886 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' MET . 13.6 p90 -151.94 151.93 31.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.39 116.26 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.288 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.96 113.24 26.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.087 0.47 . . . . 0.0 110.75 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.23 132.44 54.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.982 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.06 168.09 24.69 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.154 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -128.38 133.5 48.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.777 0.322 . . . . 0.0 110.361 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -76.51 113.66 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.145 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 p -83.66 -36.23 23.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.012 0.434 . . . . 0.0 110.357 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 33.0 mmtt -141.89 119.03 11.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.15 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.31 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.917 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.532 HG12 ' HB3' ' A' ' 77' ' ' LYS . 18.2 t -108.96 96.53 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.6 tt0 -57.37 132.88 54.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.555 -173.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t30 70.67 9.14 6.8 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.257 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.532 ' HB3' HG12 ' A' ' 74' ' ' VAL . 60.6 tttp -131.48 -67.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -158.01 161.08 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 0.0 112.103 -173.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.0 mt -132.94 127.62 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.779 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 41.7 mt-10 -113.83 130.59 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -152.67 151.59 30.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.528 . . . . 0.0 111.239 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.11 125.21 52.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.43 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -122.57 124.03 42.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.131 0.491 . . . . 0.0 110.9 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.62 -103.64 0.72 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.643 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -114.86 -4.23 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . 78.8 mtm-85 -137.36 161.36 36.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.032 -175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.3 t -114.29 161.51 17.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -142.7 138.28 30.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.353 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -118.24 114.18 22.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.581 HG22 HG13 ' A' ' 103' ' ' VAL . 52.3 t -106.19 126.33 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 134.48 53.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.773 0.321 . . . . 0.0 111.059 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.24 107.57 19.43 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.17 110.33 22.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.689 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' A' ' 99' ' ' VAL . 33.1 mt-10 -74.37 117.07 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.559 0.695 . . . . 0.0 111.117 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.97 164.9 13.84 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.019 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.74 -11.26 25.75 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.537 2.158 . . . . 0.0 112.507 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -106.06 -2.42 22.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.646 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.08 -174.4 21.71 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.821 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.601 HG22 ' HG2' ' A' ' 94' ' ' GLU . 48.9 t -94.54 118.77 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.068 0.461 . . . . 0.0 110.844 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -93.88 108.6 20.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.211 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.5 t -87.13 109.05 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.874 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -102.14 112.77 25.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 90' ' ' VAL . 51.1 t -104.53 107.57 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.971 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -106.65 104.55 14.26 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 46.8 p90 -116.47 143.52 45.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -174.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 86' ' ' ARG . 95.1 t -72.12 117.85 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -108.75 146.94 32.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.236 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.0 134.23 52.77 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.664 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.2 p -73.27 -11.27 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.031 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -62.24 -21.21 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.137 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -125.74 155.08 73.11 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.216 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.46 ' HG2' ' HG2' ' A' ' 115' ' ' GLN . 8.7 Cg_endo -52.75 115.31 2.16 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.41 2.073 . . . . 0.0 112.219 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 3' ' ' ILE . 97.3 t -61.26 -40.05 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.057 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.81 -48.93 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.337 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' A' ' 112' ' ' PRO . 4.8 pp0? -73.8 -22.47 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.013 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -72.92 -47.29 46.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' HD13 ' A' ' 3' ' ' ILE . 35.6 tt0 -68.36 -54.97 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.342 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -61.76 -33.21 73.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.032 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.31 -57.0 22.04 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.17 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 66.9 m95 -70.1 -33.59 72.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.367 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -61.74 -46.44 89.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.561 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.1 mt -62.35 -41.94 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.955 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 77.8 mt -67.05 -36.72 82.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 111.266 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.44 -38.35 74.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.459 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 29' ' ' TRP . 2.1 t-20 -68.71 -39.15 80.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.917 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.52 -43.45 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.388 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -51.85 -55.37 20.42 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.146 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -61.43 -38.27 86.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.854 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -62.3 -39.51 93.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.186 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 52.2 t -82.3 -53.13 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.484 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.49 -41.67 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -171.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -6.38 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.297 0.57 . . . . 0.0 110.51 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -96.49 -3.98 42.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.652 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 11' ' ' ALA . 94.3 mt . . . . . 0 C--O 1.233 0.222 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.034 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.95 144.38 42.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.1 mt -117.99 124.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 m -111.93 111.08 21.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.976 0.417 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.63 140.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.226 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 168.12 11.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.514 0.674 . . . . 0.0 111.506 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.647 HG23 ' HD3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -165.03 116.75 1.17 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.789 -179.123 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.5 m -98.57 108.99 21.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 128' ' ' LYS . 15.1 t -90.95 138.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.642 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 11.99 1.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.17 149.36 37.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.561 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.6 155.06 55.57 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.581 2.187 . . . . 0.0 111.78 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 ' HA ' HG21 ' A' ' 99' ' ' VAL . 7.1 p -62.1 -26.75 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.893 -172.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.49 -42.99 99.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.153 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.0 -41.65 70.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 110.417 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.83 -47.51 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.721 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -57.2 -48.92 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -64.14 -46.83 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.322 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.24 -17.89 62.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -92.3 -25.29 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.78 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -100.44 -20.87 15.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.7 m -85.02 114.72 57.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.9 Cg_endo -59.39 -24.21 73.63 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.078 2.519 . . . . 0.0 112.49 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.84 -44.21 90.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.95 -35.21 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.57 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 64.2 mt -54.23 -44.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.294 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -61.59 -14.56 31.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.755 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -95.54 -41.29 9.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 45.6 p-90 -102.7 -12.26 17.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -83.35 83.09 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.843 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.12 108.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.317 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.0 -42.9 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 110.312 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -98.14 145.86 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.173 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.54 -26.9 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' OD2' ' HB1' ' A' ' 57' ' ' ALA . 33.4 t70 -83.16 -20.64 34.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.256 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -97.22 151.13 20.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.743 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.26 161.08 33.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.244 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 41' ' ' ALA . 13.7 m -85.67 110.35 19.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.133 0.492 . . . . 0.0 109.752 174.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -83.11 -35.11 25.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.642 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.98 130.02 19.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.198 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 38' ' ' THR . . . -134.55 110.13 9.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.906 0.384 . . . . 0.0 111.117 -175.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -116.49 113.56 22.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.824 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.37 107.66 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.953 0.406 . . . . 0.0 110.573 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 20.9 t70 -94.98 90.59 6.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.37 0.605 . . . . 0.0 109.725 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -78.42 98.41 6.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.575 -173.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -170.4 156.44 5.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 112.62 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.02 -6.9 40.62 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -172.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.47 -178.61 51.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.102 -0.571 . . . . 0.0 111.858 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' ASP . . . -142.53 148.63 37.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.1 0.476 . . . . 0.0 111.486 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -113.41 155.18 25.71 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.213 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 m -147.15 113.58 5.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.916 0.389 . . . . 0.0 110.31 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -121.74 115.29 22.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.467 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 17.9 tpp180 -82.74 112.84 19.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.9 mmm -104.14 114.64 29.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 62.6 mt-10 -124.8 159.89 29.97 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 111.301 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' OD2' ' A' ' 35' ' ' ASP . . . -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.617 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.47 -176.552 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -152.54 156.68 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.283 0.541 . . . . 0.0 111.095 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.79 126.5 35.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -106.26 106.28 16.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.38 159.01 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.202 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.48 159.2 32.27 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.668 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 m -103.33 131.85 50.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.607 0.203 . . . . 0.0 110.61 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -75.81 114.9 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 p -86.89 -36.71 18.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -150.58 124.05 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 64.6 t -134.02 129.15 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 77' ' ' LYS . 3.3 p -141.15 134.02 30.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.18 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.45 131.5 42.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.357 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 1.4 p-10 48.03 25.48 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.075 1.35 . . . . 0.0 113.802 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HB3' HG13 ' A' ' 74' ' ' VAL . 55.8 tttp -125.36 -64.9 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.372 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -157.11 140.22 15.42 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.193 0.52 . . . . 0.0 111.54 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.2 mt -120.31 118.5 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.706 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.35 130.28 56.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.173 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.91 153.96 40.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.08 123.19 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -118.65 108.71 15.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.25 0.547 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.76 -119.09 8.03 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.356 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -101.48 -0.58 34.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.643 0.735 . . . . 0.0 109.892 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -108.64 163.62 13.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.912 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 t -143.68 157.18 44.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.22 142.66 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.663 0.268 . . . . 0.0 111.204 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -118.26 112.54 20.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.877 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.6 t -104.7 112.87 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -107.71 141.55 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -112.39 103.95 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.88 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.78 119.28 38.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.432 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.24 122.24 26.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.406 0.622 . . . . 0.0 111.927 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.21 27.13 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.607 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.67 -12.1 32.19 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.272 1.981 . . . . 0.0 112.706 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -106.44 -14.43 15.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.691 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.07 -159.73 32.22 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.911 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 13' ' ' VAL . 57.4 t -112.27 123.42 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.226 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 m -91.11 103.24 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.805 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.91 124.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -112.85 117.02 30.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.229 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.48 107.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.863 0.364 . . . . 0.0 110.314 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -111.18 109.01 18.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.18 153.05 43.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.002 0.43 . . . . 0.0 111.312 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.98 117.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 147.17 28.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.592 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 111' ' ' TYR . 8.6 tp10 -63.27 125.6 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 p -79.26 -21.8 45.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.168 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -79.58 -21.78 44.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.521 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 16.5 m-85 -100.63 151.17 37.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.494 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 15.4 Cg_exo -68.78 138.47 41.17 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.683 2.256 . . . . 0.0 112.037 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.3 -39.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.62 -53.46 51.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.809 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 34.2 tt0 -63.79 -42.09 97.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.354 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.84 -40.59 79.35 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.844 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.39 -43.67 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.603 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -73.04 -29.87 63.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.875 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -77.89 -50.83 6.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.262 -0.494 . . . . 0.0 112.985 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.19 -33.8 76.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.632 0.216 . . . . 0.0 110.896 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.66 -33.22 70.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.27 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.327 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.03 -42.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.329 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 35.6 mt -63.23 -36.88 85.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 91.4 m-20 -62.19 -56.56 17.53 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -54.42 -43.64 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 131' ' ' VAL . 74.9 t80 -54.19 -56.64 16.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.348 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 7' ' ' THR . 22.1 pttm -71.01 -25.19 62.57 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.315 -177.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 33.2 mmm-85 -64.11 -45.91 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -60.52 -37.09 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.047 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 59.4 t -80.14 -54.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -70.14 -30.91 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.1 t -75.61 -13.08 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.986 0.422 . . . . 0.0 110.133 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -92.19 -24.44 19.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.578 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.0 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.422 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.61 0.243 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -107.22 110.29 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.403 HD11 HG13 ' A' ' 113' ' ' VAL . 61.8 mt -98.81 133.9 39.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.07 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -116.84 112.56 21.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -113.64 167.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.375 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.28 165.99 34.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 111.848 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.541 ' CB ' ' HB3' ' A' ' 124' ' ' LEU . 0.9 OUTLIER -163.98 117.91 1.48 Allowed 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.167 -176.093 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 92.4 m -95.12 119.57 33.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.871 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.4 t -100.51 146.84 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.636 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.25 12.54 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 111.461 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -103.78 153.83 38.44 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.76 151.05 85.49 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.357 2.038 . . . . 0.0 111.262 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.19 -25.55 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.101 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.0 90.18 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.257 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.76 -39.66 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.599 -0.353 . . . . 0.0 110.463 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.45 -46.96 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -56.89 -49.47 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.163 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -67.46 -44.22 79.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.165 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 t80 -79.55 -14.72 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.524 ' HB ' HD22 ' A' ' 45' ' ' LEU . 33.6 p -115.22 -9.2 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.9 m -91.94 110.28 42.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 11.2 Cg_endo -53.74 -38.87 85.23 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.339 2.693 . . . . 0.0 113.238 -173.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-10 -62.94 -34.77 78.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 13.1 t70 -83.66 -40.2 19.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' THR . 82.4 mt -51.48 -45.46 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.607 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 10.7 mtmp? -56.52 -17.85 9.69 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 25' ' ' ASP . 56.2 mt-30 -86.85 -19.49 28.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 -174.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 55.7 p-90 -129.91 -14.62 3.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -77.42 85.0 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.152 0.977 . . . . 0.0 111.374 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.73 133.53 5.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.351 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 -22.02 38.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.474 0.654 . . . . 0.0 110.263 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 p -157.03 160.05 38.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.909 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.24 -3.85 35.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.404 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.64 -24.13 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.305 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -109.07 155.0 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.66 131.0 9.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.335 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -78.24 112.06 14.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.299 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -83.94 -37.08 22.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.015 0.436 . . . . 0.0 110.86 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.81 127.37 26.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.68 116.19 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -120.73 116.38 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.641 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.19 120.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.142 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -106.19 90.54 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' HB ' ' A' ' 21' ' ' THR . 32.0 tp -81.4 101.86 10.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.409 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -174.0 172.27 3.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.342 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.28 116.25 10.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.52 71.86 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.325 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.98 15.88 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.15 155.37 25.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 p90 -127.19 143.76 51.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.935 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 m -124.37 125.91 45.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.31 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 p -128.44 115.71 18.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.342 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -83.32 106.59 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.9 mmt -92.69 116.27 28.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.949 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.004 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.99 136.04 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.735 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -161.44 154.24 20.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.924 0.393 . . . . 0.0 110.419 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.69 110.12 22.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.241 0.543 . . . . 0.0 109.806 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.3 110.55 14.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -117.91 129.84 55.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.86 145.77 16.95 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 m -105.65 124.9 50.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.36 112.84 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.998 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 p -83.98 -38.64 20.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -145.38 118.37 8.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.132 0.491 . . . . 0.0 110.572 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.04 120.44 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.595 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.3 p -132.82 124.5 50.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.721 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.24 131.59 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.147 -170.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 63.78 16.29 9.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.142 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.657 ' HB2' HG13 ' A' ' 74' ' ' VAL . 31.8 mmtp -119.82 -71.75 0.72 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 111.049 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 10.1 ptp85 -158.29 151.41 22.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.24 0.543 . . . . 0.0 111.352 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.1 111.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.282 174.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -108.38 123.28 48.6 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.66 144.36 41.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 110.5 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -109.81 122.62 47.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.226 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -107.88 110.35 22.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.336 0.589 . . . . 0.0 110.001 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -104.49 1.5 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.817 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -114.1 -13.46 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.653 0.263 . . . . 0.0 111.078 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -119.6 142.74 48.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 111.054 -174.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.1 t -109.81 162.38 14.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.287 0.565 . . . . 0.0 112.102 -172.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.06 131.8 35.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.635 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -114.02 111.99 22.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.54 HG22 HG13 ' A' ' 103' ' ' VAL . 59.2 t -102.61 115.77 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.142 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 42.6 mt-10 -111.08 137.7 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.002 0.429 . . . . 0.0 111.358 -177.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -102.79 108.23 19.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.635 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.31 110.6 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.04 111.41 6.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 110.733 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.97 168.32 8.4 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.96 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.74 -34.57 72.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.141 1.894 . . . . 0.0 111.844 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -87.94 -5.24 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.286 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.97 -135.8 5.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.465 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.89 118.33 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 34.8 m -91.73 106.64 18.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.512 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.51 105.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.753 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -104.13 116.93 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 90' ' ' VAL . 60.3 t -103.33 108.04 23.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 p -99.46 104.61 16.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.566 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -122.62 154.28 38.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.802 0.334 . . . . 0.0 111.374 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.6 t -85.37 122.34 38.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.794 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.6 146.75 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.708 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.02 119.34 30.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 p -69.83 -7.38 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.381 0.61 . . . . 0.0 110.615 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.19 0.09 55.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.706 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -141.46 160.07 58.31 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.09 127.85 26.71 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.903 2.402 . . . . 0.0 112.281 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.403 HG13 HD11 ' A' ' 3' ' ' ILE . 63.1 t -62.52 -52.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.106 -174.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 115' ' ' GLN . 8.9 pt-20 -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -174.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.406 ' NE2' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mp0 -65.78 -31.48 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.726 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 51.2 mt-30 -79.78 -47.56 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -54.36 -55.09 32.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.966 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -73.12 -25.74 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.425 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.16 -55.47 21.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.148 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 87.8 m95 -63.25 -36.87 85.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.58 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.91 -39.56 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.913 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 119' ' ' GLY . 72.3 mt -60.95 -44.74 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 7' ' ' THR . 42.5 mt -63.54 -45.31 91.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.456 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.41 -39.91 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.99 -42.95 72.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.164 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 131' ' ' VAL . 77.4 t80 -58.28 -47.34 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.316 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -52.25 -59.14 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.548 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -61.52 -38.4 87.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.847 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.55 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.2 t -67.9 -45.55 83.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.961 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.14 -38.84 87.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.321 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.3 m -73.02 -36.47 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 0.0 110.63 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -66.59 -30.31 70.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.605 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 11' ' ' ALA . 96.8 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.24 175.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 121.051 0.453 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -104.8 130.8 52.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.063 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 113' ' ' VAL . 57.0 mt -109.27 128.55 65.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -118.24 111.07 18.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.926 0.393 . . . . 0.0 110.152 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 m -121.04 134.82 63.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.675 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -134.53 164.65 26.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.148 0.499 . . . . 0.0 111.773 -176.156 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -156.33 130.57 8.68 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.362 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 46.5 m -96.17 115.01 26.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 0.0 111.041 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.4 t -90.21 135.31 26.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -3.53 28.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.387 . . . . 0.0 111.543 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -91.46 152.81 43.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 161.65 37.98 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.117 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.3 -23.16 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.241 -174.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -29.29 67.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.055 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.532 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.1 mttm -85.48 -51.44 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.986 0.422 . . . . 0.0 110.125 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.1 t -57.61 -47.81 84.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.049 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.8 t-105 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.716 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -81.36 -22.85 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 -29.13 61.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.328 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -83.81 -16.11 45.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.225 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.0 p -111.56 -23.22 10.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 26' ' ' ILE . 46.0 m -78.48 112.62 27.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.751 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.9 -34.28 96.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.219 2.612 . . . . 0.0 112.799 -175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -61.9 -33.78 74.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.163 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.92 -30.34 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.102 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -56.04 -39.67 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.129 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.8 mtmt -62.18 -8.09 5.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.952 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -94.17 -49.62 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.071 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -100.78 -8.77 22.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.448 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 44.6 t30 -71.39 89.04 0.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 33' ' ' SER . . . -171.9 118.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.522 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.85 -23.17 63.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.704 0.764 . . . . 0.0 109.523 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 23.6 m -146.5 152.88 39.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -4.2 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.539 . . . . 0.0 110.428 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 12.4 m-20 -78.81 -10.42 59.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.54 147.86 26.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.446 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.3 p80 -140.22 135.52 32.45 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.859 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' HB3' ' A' ' 30' ' ' ASN . 19.6 m -73.65 111.85 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.92 -41.74 17.06 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.632 -172.399 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 54' ' ' ARG . . . -151.97 142.43 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.44 122.18 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.036 0.446 . . . . 0.0 111.602 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -122.97 115.58 22.14 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.44 115.71 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -105.4 108.86 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.926 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.6 tp -91.62 101.8 14.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.427 -173.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -169.64 165.7 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 48.8 mt-10 -66.44 103.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.62 9.23 33.51 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.18 176.47 53.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.35 155.37 44.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.101 0.45 . . . . 0.0 110.773 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -131.3 155.04 47.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 t -149.47 113.16 5.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -127.94 120.01 26.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.097 0.475 . . . . 0.0 111.505 -173.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 65' ' ' ASP . 49.2 mmm-85 -82.87 118.19 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.434 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 15.7 ptp -119.77 123.01 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.25 152.96 40.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.46 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.34 115.1 23.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 169.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 18.6 ptpt . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.825 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -161.37 177.44 10.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.737 0.269 . . . . 0.0 110.577 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' A' ' 54' ' ' ARG . 16.5 t70 -107.69 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.173 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -92.3 109.09 20.46 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.04 151.93 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.22 167.82 39.56 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.654 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -115.25 128.7 56.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.602 0.239 . . . . 0.0 110.71 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -75.33 102.78 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.425 ' H ' ' HA ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -83.29 -41.31 18.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 -172.516 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -146.02 115.59 7.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -124.79 120.9 59.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.754 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.5 p -125.96 127.71 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 43.1 tt0 -57.62 134.99 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.311 -171.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 50.79 22.5 1.16 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.945 1.298 . . . . 0.0 113.609 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB2' HG13 ' A' ' 74' ' ' VAL . 99.2 mttt -124.49 -68.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.164 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' H ' HG13 ' A' ' 74' ' ' VAL . 18.0 ptt180 -158.49 153.52 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.137 176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 73' ' ' VAL . 48.6 mt -122.46 112.99 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.535 175.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -108.89 110.53 21.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' H ' ' A' ' 71' ' ' THR . 42.6 p90 -132.83 143.18 49.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.23 0.538 . . . . 0.0 111.602 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.24 126.51 51.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -124.83 111.1 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.346 0.593 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.16 -112.88 5.36 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.972 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -101.04 -7.25 23.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -110.48 167.74 9.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.264 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 106' ' ' VAL . 9.3 t -141.66 144.67 34.25 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.95 129.43 43.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.55 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HG2' ' OE2' ' A' ' 91' ' ' GLU . 27.6 ttpp -113.24 111.49 22.13 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.689 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.71 125.31 53.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.349 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 2.6 mp0 -104.78 135.39 46.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.01 101.96 11.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 171.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.58 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 75.6 mt -93.53 111.22 22.84 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 -174.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.23 106.12 4.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.556 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.6 162.1 20.92 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.158 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -67.46 -16.76 48.21 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.153 1.902 . . . . 0.0 112.409 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -106.61 -1.17 23.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.532 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.5 -145.83 14.47 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -128.28 121.09 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.038 0.447 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.58 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 20.7 m -89.82 113.86 25.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.786 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.7 t -82.9 105.36 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 47.7 ttt180 -110.3 107.34 17.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.82 111.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.7 m -109.55 104.8 13.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.431 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -127.94 158.84 36.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.841 0.353 . . . . 0.0 111.304 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 87' ' ' THR . 7.4 p -90.72 125.32 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.76 136.5 49.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.092 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.92 127.06 31.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.8 p -73.05 -6.74 47.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.986 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.45 -20.29 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.265 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -112.63 157.97 38.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.867 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.67 116.99 3.62 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.37 2.046 . . . . 0.0 112.193 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 3' ' ' ILE . 95.6 t -59.71 -42.77 89.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.6 -43.41 84.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.48 -43.03 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.85 -40.8 95.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.3 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.29 -54.57 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.972 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.77 -37.31 81.43 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.456 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.3 -58.16 15.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.227 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -67.62 -38.68 84.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -62.88 -41.64 99.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.71 -40.71 95.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.679 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.61 -39.08 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.242 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.44 -40.63 97.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 5.5 m-20 -63.19 -45.97 89.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.495 177.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.75 -44.94 95.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.898 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 131' ' ' VAL . 57.3 t80 -60.38 -52.27 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.963 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -61.9 -38.83 89.83 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.906 -175.144 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.13 -37.78 81.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 0.0 110.12 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.64 -34.07 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.4 t -80.84 -45.36 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 58.6 mt-10 -66.29 -29.93 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.295 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 p -75.92 -8.49 57.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -110.31 13.92 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.019 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 11' ' ' ALA . 97.2 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.935 0.398 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -123.36 120.92 34.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.511 HD11 HG13 ' A' ' 113' ' ' VAL . 63.4 mt -99.06 132.02 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -114.14 113.25 24.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.257 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.4 m -113.98 136.1 51.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.495 176.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 8.7 pt-20 -146.81 157.67 43.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.979 0.418 . . . . 0.0 111.907 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -161.36 146.17 13.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.602 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 12.4 m -97.65 124.39 41.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.982 0.42 . . . . 0.0 111.324 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' ALA . 39.6 t -97.55 132.79 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.11 11.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -108.29 149.72 39.61 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.446 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.05 146.62 95.64 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.626 2.217 . . . . 0.0 112.253 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' HB ' HG21 ' A' ' 99' ' ' VAL . 12.2 p -60.24 -26.59 37.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.647 ' HA2' HD21 ' A' ' 76' ' ' ASN . . . -57.24 -37.36 80.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.322 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.87 -39.71 17.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.665 0.269 . . . . 0.0 110.541 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.55 -42.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 63.7 t-105 -56.42 -49.42 74.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.017 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -74.35 -31.88 62.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.398 -174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.67 -23.5 63.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -93.1 -9.37 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.879 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 p -117.57 -22.07 8.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.2 m -83.65 114.34 53.0 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.556 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.5 Cg_exo -52.46 -35.9 67.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.376 2.718 . . . . 0.0 113.305 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.19 -36.01 82.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.249 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -33.44 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.725 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.56 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 75.1 mt -56.08 -44.84 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.212 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 63.5 pttt -68.02 -6.35 22.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.881 0.372 . . . . 0.0 111.396 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.9 -22.64 20.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.106 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 43.6 p-90 -121.14 -5.66 9.47 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.42 71.46 3.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.4 0.619 . . . . 0.0 110.566 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.65 136.77 7.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.572 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.37 -25.41 57.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.262 0.553 . . . . 0.0 110.746 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -157.33 172.85 17.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -65.23 -23.42 67.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.836 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.3 m-20 -62.64 -22.01 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.319 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.535 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 76.4 m95 -107.59 155.41 20.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.572 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -155.7 150.1 25.89 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 27' ' ' LYS . 5.8 m -91.77 126.58 36.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 p -92.91 -38.88 11.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.95 151.3 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.72 115.34 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 m -115.34 113.54 23.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.827 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.556 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 65.8 t -131.32 115.96 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.904 0.383 . . . . 0.0 111.37 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -104.21 108.27 19.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.8 tp -87.06 102.07 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.391 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -175.23 161.62 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.377 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.03 107.32 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.6 -2.8 32.38 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 159.73 30.86 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.88 156.4 39.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 117.208 0.504 . . . . 0.0 111.241 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 43' ' ' VAL . 45.6 p90 -127.25 144.51 51.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -141.04 107.63 5.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.213 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -114.64 132.75 56.27 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -98.05 104.09 16.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.2 ttm -100.47 114.19 27.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 44.3 mt-10 -124.95 152.08 44.61 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -98.62 150.0 22.2 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.002 0.429 . . . . 0.0 111.011 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.5 ptpt -78.91 -7.88 58.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.652 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.04 -22.04 64.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.557 0.218 . . . . 0.0 110.825 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.39 54.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.52 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.8 t -107.09 -45.26 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 117.128 0.464 . . . . 0.0 110.828 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.492 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 91.7 mmm -79.57 133.58 36.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.428 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 178.36 141.73 4.42 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.867 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -153.52 168.28 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.913 0.356 . . . . 0.0 110.781 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.06 130.52 55.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -104.99 106.5 17.02 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -123.36 141.83 51.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.233 -176.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -158.42 163.36 32.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.754 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -112.95 132.46 55.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -80.31 105.49 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.152 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -84.38 -40.3 18.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.835 0.35 . . . . 0.0 110.696 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 53.4 mmtt -133.59 126.56 31.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.5 0.667 . . . . 0.0 111.945 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.5 108.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.765 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.593 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 47.4 t -108.95 109.19 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 41.7 tt0 -60.07 124.68 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.993 -172.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.647 HD21 ' HA2' ' A' ' 14' ' ' GLY . 12.0 m120 65.41 24.71 11.99 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.128 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.1 tttt -139.88 -64.68 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.129 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.593 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 10.3 ptm85 -150.67 139.0 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.245 0.545 . . . . 0.0 111.5 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mt -118.23 107.73 22.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.807 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 49.8 mt-10 -106.97 112.67 25.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -134.82 164.94 26.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 0.0 111.575 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.76 120.83 35.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.915 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.418 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 12.7 p90 -111.38 108.1 17.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.529 0.68 . . . . 0.0 110.22 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.32 -111.62 3.56 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.244 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -109.72 -0.13 18.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -105.07 163.82 12.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.387 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 7.3 t -136.66 146.09 45.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.924 0.393 . . . . 0.0 110.556 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.27 142.6 30.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.203 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 10.0 ptpp? -118.8 125.57 49.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.332 0.587 . . . . 0.0 110.221 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.38 110.14 26.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.526 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -107.07 133.67 51.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.868 0.366 . . . . 0.0 110.149 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -99.59 103.82 15.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.6 mt -88.75 115.62 26.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.955 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.99 106.68 12.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.348 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 160.76 25.29 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.99 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 24.0 Cg_endo -62.82 -22.88 74.23 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.498 2.132 . . . . 0.0 112.904 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 8' ' ' THR . 7.9 pt20 -92.76 -9.88 38.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.244 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.04 -163.47 28.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.727 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG21 ' HB ' ' A' ' 13' ' ' VAL . 42.2 t -104.66 119.49 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 117.099 0.449 . . . . 0.0 111.281 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.9 m -85.25 110.28 18.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.257 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 45.7 t -81.24 106.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.569 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' HD2' HD11 ' A' ' 93' ' ' LEU . 35.8 ttt180 -104.05 113.38 26.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.505 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.1 108.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -104.03 116.71 32.72 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -130.69 153.69 48.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.414 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.6 134.24 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.927 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.69 146.85 52.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -73.98 152.08 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 p -95.12 -21.32 18.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.363 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.74 -5.85 57.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.526 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.46 147.27 36.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.616 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.59 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 39.4 Cg_exo -57.63 106.19 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.613 2.209 . . . . 0.0 112.129 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.511 HG13 HD11 ' A' ' 3' ' ' ILE . 86.7 t -55.64 -43.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.249 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.99 -41.62 92.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 29.2 tt0 -63.15 -41.91 99.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 30.2 mt-30 -67.34 -48.21 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.22 0.534 . . . . 0.0 109.823 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.18 -52.12 67.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.556 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -67.12 -28.64 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.031 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.56 -52.71 49.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.584 175.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 47.0 m95 -66.55 -37.41 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.26 -41.71 97.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.97 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.6 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 73.6 mt -61.05 -42.64 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 79.8 mt -62.8 -37.09 85.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.24 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -62.94 -43.02 99.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.492 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 52.6 t30 -67.44 -44.94 77.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.346 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 131' ' ' VAL . 55.0 t80 -59.14 -50.26 74.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.679 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -50.15 -56.63 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.161 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmt180 -65.0 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.953 -176.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -62.75 -39.6 94.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' PHE . 46.1 t -70.81 -40.05 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 0.0 110.337 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -74.24 -25.92 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.653 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -87.32 -16.04 36.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.935 0.398 . . . . 0.0 110.168 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -77.21 -15.24 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.676 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.31 108.46 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.822 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -83.24 148.09 27.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.982 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -138.9 100.75 4.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.501 0.667 . . . . 0.0 111.025 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.52 -176.19 3.32 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -76.77 72.81 3.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.9 t60 51.14 -106.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.241 -169.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.0 t60 63.89 -60.06 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.36 0.664 . . . . 0.0 111.983 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.23 -176.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.549 ' HB3' ' HB3' ' A' ' 107' ' ' ALA . 9.3 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.098 0.475 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.3 98.58 5.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.267 0.556 . . . . 0.0 109.954 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.3 mt -93.67 135.25 28.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 m -121.24 111.31 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.049 0.452 . . . . 0.0 110.327 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.8 m -113.66 142.07 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.81 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.3 pt-20 -142.95 164.64 29.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 0.0 111.542 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -159.4 151.5 20.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.973 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 51.4 m -110.88 116.68 31.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.6 t -93.68 147.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.455 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.37 11.83 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.157 0.503 . . . . 0.0 111.222 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -104.59 150.03 38.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.8 152.91 53.74 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.737 2.291 . . . . 0.0 112.138 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.53 -27.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.43 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.3 -40.94 98.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.586 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.52 -36.88 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.624 -0.339 . . . . 0.0 110.363 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.46 HG22 HG11 ' A' ' 131' ' ' VAL . 41.2 t -65.28 -42.12 93.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.6 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 54.9 t-105 -62.02 -51.75 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.947 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.91 -41.46 95.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.032 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.26 -31.77 73.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.845 0.355 . . . . 0.0 111.459 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.96 -17.53 37.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -108.12 -30.12 8.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' ILE . 27.2 m -73.36 116.7 53.76 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 110.619 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 10.9 Cg_endo -54.53 -45.26 42.33 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.255 2.637 . . . . 0.0 112.829 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 48.5 mm-40 -70.2 -15.42 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 4.2 t70 -89.58 -43.61 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.674 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 81.8 mt -52.43 -43.2 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 55.5 mtmt -61.44 -12.24 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -97.39 -8.01 30.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.674 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 60.5 p-90 -131.73 -15.17 3.11 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.92 94.31 2.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.67 111.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.069 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.37 -6.43 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.35 0.595 . . . . 0.0 110.358 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -161.42 150.96 16.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.027 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.36 -1.3 40.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 110.765 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.82 -16.03 60.15 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.16 0.505 . . . . 0.0 109.751 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -111.82 152.15 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.298 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 56' ' ' GLU . 12.9 p-80 -141.95 135.49 29.43 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -83.85 110.97 18.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.41 -41.77 17.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.549 -174.123 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.84 156.84 42.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.77 118.13 4.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.773 0.32 . . . . 0.0 110.97 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.4 m -112.94 115.0 27.74 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.4 t -125.53 122.49 62.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.918 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -111.2 96.84 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.99 101.31 7.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.751 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -175.73 164.09 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.966 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.8 103.59 2.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.67 -3.86 29.21 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.471 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 151.54 23.34 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.07 161.21 19.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.082 0.467 . . . . 0.0 110.969 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 p90 -130.33 144.11 51.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.93 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -143.75 122.2 12.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.157 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 t -128.15 136.35 51.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -89.4 105.2 17.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.296 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -104.85 113.79 27.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' HB2' ' CE1' ' A' ' 37' ' ' HIS . 55.5 mt-10 -122.88 149.45 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -174.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.68 142.83 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.38 -26.95 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.72 0.295 . . . . 0.0 111.695 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -87.32 -5.09 59.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.43 4.9 70.97 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.634 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 p -68.3 -40.94 81.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.34 0.59 . . . . 0.0 111.169 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mtp -133.32 162.85 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.437 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.32 138.25 2.4 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.29 163.18 39.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.197 0.523 . . . . 0.0 111.232 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.43 100.55 13.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.662 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -75.82 105.7 7.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.03 142.96 42.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.88 175.77 39.99 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -124.62 137.34 54.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.13 0.465 . . . . 0.0 111.202 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -78.8 98.16 6.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -90.48 -23.67 20.91 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -148.14 114.79 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.948 0.404 . . . . 0.0 109.935 -177.025 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -139.37 133.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -174.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -132.54 111.39 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.6 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 32.3 tt0 -60.01 135.62 57.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.385 -170.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 72.0 3.19 4.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.326 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.816 ' HE2' ' HA ' ' A' ' 77' ' ' LYS . 10.2 mmpt? -113.81 -77.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.612 0.244 . . . . 0.0 110.906 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -158.16 163.35 37.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 73' ' ' VAL . 60.2 mt -127.62 126.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.677 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.2 mt-10 -113.65 110.48 20.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -119.78 146.53 45.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 110.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.85 145.44 45.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 111.484 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.61 104.65 6.15 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.661 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.45 -121.82 9.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.155 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -103.64 -2.66 26.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.033 0.444 . . . . 0.0 110.8 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -107.08 152.05 24.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.513 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 t -139.37 155.95 47.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -174.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.32 130.16 34.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.554 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 104' ' ' SER . 14.8 ptpt -113.78 131.1 56.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 103' ' ' VAL . 46.5 t -111.95 111.84 37.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.63 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -106.52 134.17 50.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.873 0.368 . . . . 0.0 110.451 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -105.81 103.51 13.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.7 mt -108.28 134.22 51.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.06 114.94 15.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.276 0.56 . . . . 0.0 110.598 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.84 160.15 27.34 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.564 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 12.8 Cg_endo -58.1 -24.27 65.33 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.235 1.957 . . . . 0.0 112.371 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.88 5.37 40.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.71 -130.35 4.51 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.48 118.12 54.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.945 0.402 . . . . 0.0 110.612 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 58.4 m -88.43 110.25 20.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.202 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -85.18 105.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.258 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -106.48 110.28 22.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.096 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 90' ' ' VAL . 47.3 t -107.11 111.92 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.799 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 10.9 t -107.43 118.42 36.69 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 52.9 p90 -127.59 154.46 45.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 111.213 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -87.14 116.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.778 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 1' ' ' MET . . . -89.15 146.72 24.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.113 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.87 130.06 42.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.25 1.74 31.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -170.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.97 7.8 43.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.207 0.527 . . . . 0.0 111.043 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 70.5 m-85 -127.97 148.72 68.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 52.9 Cg_exo -52.72 120.25 7.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.403 2.069 . . . . 0.0 112.048 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 3' ' ' ILE . 48.8 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.405 -174.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 0.9 OUTLIER -68.71 -33.92 74.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -177.566 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 109.956 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 50.4 mt-30 -68.37 -50.21 54.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -56.43 -48.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.525 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mm-40 -68.69 -37.97 79.97 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.456 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.9 -53.36 46.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.405 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.472 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 80.5 m95 -60.03 -40.13 88.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.703 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -62.78 -44.23 96.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.327 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.33 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.576 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 119' ' ' GLY . 78.4 mt -59.16 -45.14 92.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.591 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -41.16 99.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.731 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -67.99 -42.0 81.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.822 0.344 . . . . 0.0 110.603 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -63.97 -39.32 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.7 t80 -60.86 -50.88 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.576 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.588 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 59.6 tttp -52.61 -53.27 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.294 0.372 . . . . 0.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -57.66 -33.62 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 110.857 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -75.05 -29.14 60.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.055 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 127' ' ' PHE . 40.3 t -82.13 -35.03 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 75.1 mm-40 -59.79 -36.75 77.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 109.953 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 p -81.24 3.22 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.394 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -95.75 3.14 54.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.451 0.643 . . . . 0.0 109.454 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.5 mt -99.89 99.1 9.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.302 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.753 ' HB3' ' HA ' ' A' ' 140' ' ' HIS . 3.0 tm-20 -118.55 106.17 12.38 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.116 -173.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 62.08 -86.07 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -173.17 19.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.686 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.06 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.753 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 20.2 t60 61.28 -173.76 0.13 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -171.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -150.32 149.49 30.19 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.814 -0.553 . . . . 0.0 110.823 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 167.903 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.53 132.29 56.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.189 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt -108.41 134.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.767 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 m -105.8 111.24 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.843 0.354 . . . . 0.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.4 135.12 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 6.5 pt-20 -150.51 146.09 26.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.341 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.06 138.02 33.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.967 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.5 m -92.52 112.45 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.86 0.362 . . . . 0.0 110.687 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.8 t -97.25 144.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.874 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.47 11.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -111.06 151.16 42.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.786 -0.188 . . . . 0.0 110.833 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.6 Cg_exo -70.54 164.58 34.81 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.12 2.547 . . . . 0.0 112.044 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' N ' HG21 ' A' ' 99' ' ' VAL . 12.0 p -56.83 -32.86 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -174.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.61 50.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.943 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 66.9 mttm -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.688 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.33 -51.19 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.696 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 28.1 t-105 -53.62 -46.67 70.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.832 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.17 -49.99 75.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.937 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.92 -20.15 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.746 0.308 . . . . 0.0 111.753 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.504 ' HB ' HD22 ' A' ' 45' ' ' LEU . 20.5 p -102.95 -14.02 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -175.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.5 m -83.11 111.22 28.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 122.345 -0.222 . . . . 0.0 110.597 178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.495 ' HA ' HD12 ' A' ' 26' ' ' ILE . 14.8 Cg_endo -57.39 -27.62 76.62 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.189 2.593 . . . . 0.0 112.673 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' A' ' 24' ' ' GLU . 4.4 tp10 -70.04 -43.56 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.943 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.52 -37.63 83.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.304 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 22' ' ' THR . 69.5 mt -54.94 -40.93 55.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.568 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 51.3 mttp -58.92 -17.29 23.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.836 0.35 . . . . 0.0 111.68 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' OE1' ' HE1' ' A' ' 130' ' ' HIS . 96.6 mt-30 -100.34 -12.24 19.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 51.5 p-90 -127.29 -9.74 5.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.583 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.05 58.24 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.427 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.19 125.56 5.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.469 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.22 62.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.257 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -146.43 160.99 41.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.02 -7.99 53.7 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.306 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -73.55 -19.76 60.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.466 0.65 . . . . 0.0 109.503 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 60.0 m95 -102.51 162.79 12.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.578 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -148.93 132.14 16.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 m -76.81 105.66 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -35.79 25.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.566 -172.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -148.69 133.54 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.121 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HB3' ' HG2' ' A' ' 27' ' ' LYS . . . -147.6 110.44 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.939 0.4 . . . . 0.0 111.037 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -121.54 124.11 43.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.657 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 51' ' ' PHE . 93.3 t -128.9 121.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.41 -174.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.67 102.35 13.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.893 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 21' ' ' THR . 60.0 tp -80.77 91.76 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.485 0.66 . . . . 0.0 110.32 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -166.79 154.38 9.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.513 -178.846 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.33 109.29 6.74 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.56 2.59 46.99 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.533 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -93.81 153.99 21.44 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -114.17 161.89 17.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.552 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.5 p90 -134.76 147.41 50.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.845 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -139.05 117.08 11.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.217 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 23.0 t -129.79 108.6 10.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.758 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 36.9 ttp-105 -85.75 115.82 23.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.9 mtp -100.14 114.54 28.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.323 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 41.6 mt-10 -121.57 163.1 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.109 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -92.31 149.8 21.22 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.69 -15.64 63.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 111.577 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -85.42 -14.97 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.314 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.56 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.625 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.8 t -63.34 -44.66 94.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 110.738 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.0 mmm -120.54 154.68 35.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.295 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 178.78 138.56 3.23 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.854 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -163.37 142.12 8.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.691 0.281 . . . . 0.0 110.603 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 m-20 -83.61 106.13 15.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.54 107.14 9.78 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 140.62 44.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.976 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.74 166.21 30.26 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.618 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 18.1 m -132.33 130.28 40.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.754 0.277 . . . . 0.0 110.294 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -77.66 109.95 12.08 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -84.42 -30.75 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.987 0.422 . . . . 0.0 110.639 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 31.5 ttmt -149.21 136.42 19.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.107 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.42 104.31 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.56 HG11 ' HD2' ' A' ' 77' ' ' LYS . 23.3 t -105.66 105.52 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.1 tt0 -58.76 137.25 57.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.506 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 49.29 28.28 2.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.591 1.156 . . . . 0.0 113.001 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.56 ' HD2' HG11 ' A' ' 74' ' ' VAL . 38.7 ttmt -137.86 -68.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.157 -0.339 . . . . 0.0 111.622 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NH1' ' HD2' ' A' ' 89' ' ' LYS . 9.3 ptp180 -149.5 143.76 25.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.224 0.535 . . . . 0.0 111.72 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.1 mt -117.37 118.57 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.735 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 52.2 mt-10 -112.97 117.55 32.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 110.076 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -140.23 153.54 46.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.193 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -113.25 102.97 10.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.398 0.618 . . . . 0.0 109.967 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.5 -113.37 4.05 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.475 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.48 -2.84 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 0.0 111.042 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 76.4 mtm180 -113.98 151.5 32.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.357 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.1 t -125.3 156.86 37.97 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -136.38 138.66 41.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HD2' ' NH1' ' A' ' 78' ' ' ARG . 28.7 ttpt -113.3 111.5 22.13 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 103' ' ' VAL . 48.6 t -96.11 111.82 27.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.3 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.35 134.17 51.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.93 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.01 104.09 14.25 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 102' ' ' ARG . 50.0 mt -96.26 108.4 20.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.445 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.642 ' HG2' HG22 ' A' ' 99' ' ' VAL . 29.2 mt-10 -80.52 107.27 13.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.535 0.684 . . . . 0.0 110.89 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.82 161.06 23.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.788 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -60.8 -19.87 63.53 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.684 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -99.83 5.13 45.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 110.822 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.35 175.97 14.25 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.969 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 94' ' ' GLU . 92.4 t -91.45 123.33 43.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 0.0 110.748 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 55.8 m -94.63 115.88 28.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.232 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.53 105.59 11.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' A' ' 93' ' ' LEU . 18.4 ttt180 -105.42 107.79 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.352 -174.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 90' ' ' VAL . 45.5 t -108.53 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.6 m -100.41 106.72 18.33 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 48.1 p90 -115.88 150.48 36.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.69 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.532 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 85.9 t -71.74 123.49 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.911 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.68 146.89 27.92 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.324 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 129.04 35.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.182 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.9 p -73.22 -17.39 61.35 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.912 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -94.14 6.36 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -123.18 150.68 60.51 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.895 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.56 131.0 39.96 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.567 2.178 . . . . 0.0 112.254 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.21 -37.89 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.662 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.8 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.892 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.88 -52.74 61.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.338 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.43 -41.09 96.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.69 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -69.41 -46.97 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.578 0.228 . . . . 0.0 110.808 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.49 -41.07 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.048 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.75 -51.22 60.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -67.33 -36.3 81.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.559 0.218 . . . . 0.0 111.129 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.88 -38.21 88.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 110.255 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.06 82.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.722 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 119' ' ' GLY . 74.5 mt -66.52 -42.63 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.64 -39.43 93.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 94.3 m-20 -63.14 -42.87 99.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.738 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.542 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 55.5 t30 -67.3 -41.18 85.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 0.0 109.984 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.48 -44.04 97.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.32 -47.59 81.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.703 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 41.7 mtm180 -59.6 -42.07 91.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.115 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.527 ' HE1' ' OE1' ' A' ' 28' ' ' GLN . 39.2 t60 -58.04 -40.08 80.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.929 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.57 -50.79 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.122 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.549 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 76.5 mt-10 -65.96 -32.62 74.21 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -174.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.4 t -78.68 -11.45 59.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.368 . . . . 0.0 110.35 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -100.34 -8.83 22.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 76.5 mt -64.03 -42.13 97.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.31 121.33 33.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -147.89 13.58 1.02 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.248 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -137.72 -37.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 43.88 78.8 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.108 0.963 . . . . 0.0 112.29 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -70.43 -33.93 71.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.776 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -102.79 -51.89 3.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.644 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.248 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -100.35 126.84 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.809 0.337 . . . . 0.0 111.164 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.553 HD11 HG13 ' A' ' 113' ' ' VAL . 63.2 mt -110.95 123.1 66.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -103.01 111.29 23.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.965 0.412 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -115.69 137.05 50.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.655 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -133.6 160.81 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.541 0.686 . . . . 0.0 112.487 -175.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -151.85 119.6 6.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.829 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.628 ' O ' ' HE2' ' A' ' 128' ' ' LYS . 34.7 m -90.48 106.3 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.3 t -90.74 147.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.287 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 12.18 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 111.712 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -105.04 149.95 38.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.743 -178.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.61 159.34 28.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.58 2.187 . . . . 0.0 111.918 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.68 -33.58 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.39 92.56 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.4 -38.82 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.719 0.295 . . . . 0.0 110.51 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.1 -41.71 79.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.49 -53.28 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -67.97 -37.06 81.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.436 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.061 0.458 . . . . 0.0 110.973 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -84.48 -16.15 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.208 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 p -107.61 -19.47 13.54 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG13 ' A' ' 26' ' ' ILE . 71.7 m -79.55 109.61 12.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 122.42 -0.175 . . . . 0.0 110.935 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.44 -32.1 95.6 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.007 2.471 . . . . 0.0 113.005 -174.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.56 -45.61 82.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.48 -30.27 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.816 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 22' ' ' THR . 70.3 mt -56.04 -41.97 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 22.8 mtpp -59.41 -16.41 23.15 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.692 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -93.82 -37.41 11.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 40.2 p-90 -107.76 -10.94 15.5 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -85.71 87.92 7.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.371 0.605 . . . . 0.0 110.813 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.57 117.18 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.317 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.1 -20.44 45.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -147.0 158.78 44.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.038 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -73.03 -1.56 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.176 0.512 . . . . 0.0 111.135 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -103.88 -2.04 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.207 0.527 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -129.63 155.74 45.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.69 152.89 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 14.6 m -74.1 114.06 12.0 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -83.88 -43.57 15.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 0.0 110.838 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.84 128.35 45.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.188 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.8 124.75 22.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.572 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -138.32 113.67 9.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.917 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.4 t -109.18 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.63 101.42 12.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -84.75 93.41 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -173.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' HG2' ' HA3' ' A' ' 49' ' ' GLY . 14.9 ptp180 -163.26 155.99 18.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.31 112.31 10.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.31 -8.36 35.33 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HG2' ' A' ' 46' ' ' ARG . . . -91.27 176.89 40.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.571 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.06 150.69 43.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.2 p90 -116.38 144.25 44.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 175.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -118.15 116.49 26.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.134 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -113.46 108.33 17.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.617 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 19.6 ttp180 -91.3 98.74 11.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.126 0.488 . . . . 0.0 110.345 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.52 113.92 22.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.693 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG2' ' CA ' ' A' ' 63' ' ' GLY . 37.6 mt-10 -127.23 157.07 40.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.63 148.27 38.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.858 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -70.59 -13.11 61.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.47 -22.81 54.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.206 0.527 . . . . 0.0 110.397 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.34 -29.72 10.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.923 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -62.09 -65.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 111.907 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.6 mtm -75.69 131.27 39.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 56' ' ' GLU . . . -166.85 138.23 5.08 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.891 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -158.39 165.89 33.58 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.617 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 p-10 -126.28 141.94 51.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.026 0.441 . . . . 0.0 111.151 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.53 126.2 54.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.856 174.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.79 52.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.946 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.11 128.79 6.53 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.708 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -96.93 125.8 41.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.67 0.272 . . . . 0.0 110.542 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.81 109.21 14.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 p -85.17 -27.36 26.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.188 0.518 . . . . 0.0 110.715 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 32.7 ttmt -145.16 135.12 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.749 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.3 t -139.54 113.43 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.449 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.5 p -126.83 126.97 69.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 172.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 30.1 tt0 -67.01 130.97 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.975 -168.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' ND2' ' HG2' ' A' ' 75' ' ' GLU . 59.9 m-80 64.86 20.52 12.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.662 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HB2' HG13 ' A' ' 74' ' ' VAL . 60.2 mttm -130.64 -70.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.512 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -157.21 147.88 21.37 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.108 -176.301 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.24 111.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.686 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 2.0 mp0 -101.72 122.81 44.61 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -142.55 159.03 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 111.18 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.5 148.84 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.06 117.02 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.2 -114.15 5.6 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -173.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -108.38 -10.42 15.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.51 165.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.323 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 13.6 t -143.69 149.72 37.62 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.15 130.52 25.31 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' CB ' ' HG3' ' A' ' 80' ' ' GLU . 9.7 ptmm? -113.83 127.54 56.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 0.0 109.804 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.68 107.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.125 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 47.0 mt-10 -110.06 137.33 47.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.023 0.44 . . . . 0.0 111.176 -176.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 104.14 16.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.572 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 77.4 mt -90.84 105.23 17.68 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.986 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.71 103.94 7.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -108.76 165.76 12.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.445 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 30.7 Cg_endo -64.69 -16.2 54.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.219 1.946 . . . . 0.0 112.382 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -92.84 -14.09 28.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 143.66 -156.15 26.47 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.2 t -109.41 112.28 39.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.011 0.434 . . . . 0.0 110.572 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 30.5 m -83.46 107.86 16.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.51 105.51 11.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 26.4 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 -176.245 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.35 113.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.438 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -105.31 109.66 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -121.09 151.45 39.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.132 0.492 . . . . 0.0 110.99 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.53 115.64 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.127 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.3 147.63 22.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.367 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 8.2 tp10 -80.7 136.41 36.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 p -78.46 -24.79 45.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.073 0.463 . . . . 0.0 110.933 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 5.2 mm-40 -77.72 -20.91 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.004 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.18 156.83 35.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.105 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 115' ' ' GLN . 31.2 Cg_exo -59.38 106.96 0.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.703 2.269 . . . . 0.0 112.209 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.553 HG13 HD11 ' A' ' 3' ' ' ILE . 84.4 t -61.78 -38.63 80.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 12.8 tp10 -57.69 -53.86 53.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.59 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 112' ' ' PRO . 53.1 mt-30 -64.47 -34.96 79.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.479 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.64 -46.72 86.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -63.82 -52.45 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 76.6 mm-40 -62.6 -33.1 74.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.26 -55.31 30.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.47 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 55.2 m95 -64.15 -39.77 94.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.561 0.22 . . . . 0.0 110.985 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.84 -43.04 99.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.607 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.55 93.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 119' ' ' GLY . 79.0 mt -64.82 -42.81 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 177.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 65.3 mt -62.56 -35.81 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.636 0.255 . . . . 0.0 111.557 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -63.71 -50.33 69.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.755 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -65.98 -39.14 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.498 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 131' ' ' VAL . 58.0 t80 -58.75 -52.03 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.395 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 8' ' ' THR . 43.5 tttm -52.64 -56.7 13.54 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.5 mtm-85 -63.34 -28.96 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.291 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.3 -37.18 74.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 127' ' ' PHE . 56.3 t -71.59 -38.76 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 42.0 mm-40 -57.42 -43.3 83.68 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.732 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 30.9 t -73.88 -23.67 59.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.06 -26.47 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 11' ' ' ALA . 39.9 mt -77.95 -48.5 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.957 170.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.732 ' HB3' ' HA ' ' A' ' 133' ' ' SER . 35.2 tt0 -51.59 -42.72 62.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -72.81 -13.18 61.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.592 0.234 . . . . 0.0 111.409 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -99.74 101.68 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -98.48 100.63 11.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 68.48 177.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.285 1.04 . . . . 0.0 113.468 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -157.03 -168.94 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 113.618 -1.628 . . . . 0.0 107.557 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.225 -0.893 . . . . 0.0 108.735 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' HG23 ' A' ' 109' ' ' THR . 15.1 tpt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.032 0.444 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -142.73 144.01 32.49 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 67.7 mt -105.04 136.13 40.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 m -108.92 110.89 22.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.224 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 m -118.04 137.52 51.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.4 pt-20 -140.66 157.98 44.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.049 0.452 . . . . 0.0 111.413 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -143.31 135.98 27.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.416 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -97.19 105.01 17.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.857 0.36 . . . . 0.0 110.631 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.7 t -95.66 140.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.83 12.42 13.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.041 0.448 . . . . 0.0 111.261 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -97.93 158.13 33.4 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.585 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 17.3 Cg_exo -65.31 153.76 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.446 2.098 . . . . 0.0 110.9 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.52 -23.25 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.317 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -43.24 90.76 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.428 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -73.87 -39.56 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.588 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.81 -41.16 87.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 52.7 t-105 -59.25 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.046 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -59.3 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.795 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.26 73.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.938 0.399 . . . . 0.0 111.289 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -81.04 -17.68 49.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 45' ' ' LEU . 32.6 p -113.2 3.11 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -176.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 m -101.48 99.29 10.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.506 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HB3' HG23 ' A' ' 43' ' ' VAL . 11.8 Cg_endo -56.2 -36.88 97.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.904 2.403 . . . . 0.0 113.154 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.71 -34.51 75.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -85.58 -33.9 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.21 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.589 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 75.6 mt -53.51 -36.7 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.863 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.49 -13.64 2.47 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -101.15 -15.26 17.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 60.7 p-90 -131.37 2.97 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.245 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' HB2' HG22 ' A' ' 26' ' ' ILE . 3.5 t-20 -78.92 11.97 2.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.547 0.689 . . . . 0.0 110.453 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.99 110.22 22.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.07 -7.86 59.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.632 0.73 . . . . 0.0 109.485 173.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -150.42 144.62 25.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.23 -30.15 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.693 0.282 . . . . 0.0 111.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -74.12 -7.81 53.93 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -104.67 140.16 38.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.003 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -149.01 144.25 26.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.895 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 p -83.25 -41.56 18.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.098 0.475 . . . . 0.0 111.249 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.14 141.76 40.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.784 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.21 105.83 3.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -98.11 112.74 24.59 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 23' ' ' PRO . 73.0 t -115.17 110.17 31.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.24 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -95.7 91.21 5.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.8 tp -78.32 93.85 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.42 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 46' ' ' ARG . 7.0 ptt180 -164.02 153.6 14.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.69 104.38 4.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.166 0.508 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.83 -5.15 18.68 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.17 -164.98 40.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.104 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.05 157.49 39.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.929 0.395 . . . . 0.0 111.303 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -127.61 146.56 50.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.267 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 t -139.44 121.48 15.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -126.85 133.7 50.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.661 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' THR . 19.5 mmm180 -91.46 94.39 9.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.827 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.4 mtp -90.77 113.43 25.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.35 167.13 20.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.203 -174.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.81 149.27 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -75.88 -48.4 21.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.979 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -107.68 -22.7 12.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.211 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.45 -153.49 30.29 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.605 -175.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.97 -7.57 11.95 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.403 -0.898 . . . . 0.0 110.996 -174.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.17 149.37 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.467 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.64 142.56 3.95 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.384 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -141.71 162.3 35.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.22 102.87 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.979 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -88.2 105.94 17.86 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.3 39.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.204 -174.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.09 155.26 24.23 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -101.96 124.2 47.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.917 0.358 . . . . 0.0 110.74 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.25 108.97 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -92.18 -38.75 11.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.852 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 6.2 tmtm? -142.91 124.27 14.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 66.8 t -133.0 115.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 111.191 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.0 p -131.2 122.94 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.056 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tt0 -60.89 134.45 57.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.96 -172.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.95 14.21 9.15 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.935 175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 74' ' ' VAL . 2.1 tmtt? -126.13 -72.0 0.67 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.262 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.795 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 12.0 ptt180 -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 111.804 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.91 109.47 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.353 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HG2' ' CB ' ' A' ' 89' ' ' LYS . 41.7 mt-10 -110.07 124.75 52.04 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -139.97 142.74 36.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 0.0 111.379 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -100.82 119.78 39.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.127 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -112.23 107.31 16.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.472 0.654 . . . . 0.0 109.987 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -112.87 4.24 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.914 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.53 -2.58 23.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.02 0.438 . . . . 0.0 110.612 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 -115.85 169.08 9.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.4 t -136.15 151.47 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.574 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.25 133.58 33.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.077 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 21.0 ptmt -119.32 129.0 54.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.272 0.558 . . . . 0.0 110.58 178.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 103' ' ' VAL . 41.3 t -110.59 111.07 34.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.834 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.795 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 7.3 mt-10 -107.19 136.57 46.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.07 103.25 15.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.017 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.9 mt -85.88 106.86 17.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.048 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.16 106.76 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.48 162.9 18.25 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.865 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -59.26 -36.17 95.53 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.275 1.983 . . . . 0.0 111.971 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -86.41 -15.75 39.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.017 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.52 -130.28 2.29 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.605 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.97 120.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 19.3 m -88.41 103.61 16.01 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 46.4 t -82.08 105.55 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.813 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -106.56 119.07 38.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.97 0.414 . . . . 0.0 110.968 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 90' ' ' VAL . 48.4 t -106.76 115.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.923 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -112.48 112.24 23.66 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 39.1 p90 -126.0 144.27 50.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.9 t -71.63 126.31 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.584 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -124.59 147.75 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -172.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.3 122.34 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.62 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -75.12 -3.8 34.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.309 0.576 . . . . 0.0 110.681 174.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.59 -15.58 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.978 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.442 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 78.1 m-85 -119.41 159.78 44.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.205 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 14.7 Cg_endo -56.39 104.46 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.569 2.179 . . . . 0.0 112.538 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 3' ' ' ILE . 62.3 t -59.89 -38.41 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.59 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.47 -43.9 80.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.329 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.37 -37.36 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.994 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.5 mt-30 -67.07 -45.86 76.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 0.0 109.688 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -55.45 -54.13 47.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.281 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -67.47 -32.16 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.124 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.33 -52.52 43.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.404 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -69.32 -33.68 73.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.274 . . . . 0.0 110.916 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.9 -39.26 93.26 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.64 97.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.69 -47.76 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.5 -29.91 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.07 0.462 . . . . 0.0 111.081 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 8.8 t-20 -67.15 -49.26 65.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.3 -35.55 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.128 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 131' ' ' VAL . 65.9 t80 -55.24 -49.49 71.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.304 175.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 63.2 tttp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.574 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 11.0 mmt180 -55.19 -40.78 71.14 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.501 0.667 . . . . 0.0 110.416 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -73.75 -30.62 62.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.154 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.2 t -81.35 -37.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.791 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 80.4 mm-40 -59.56 -36.7 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 176.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.3 p -79.4 2.58 21.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.409 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -99.59 -3.79 32.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.0 109.707 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.4 mt -103.83 -57.93 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.635 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.76 150.77 29.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.938 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 69.16 104.99 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.49 0.716 . . . . 0.0 110.996 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -77.18 -16.89 58.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.409 0.624 . . . . 0.0 109.493 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -96.34 103.7 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 167.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -82.4 59.87 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.468 0.651 . . . . 0.0 110.423 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -166.33 107.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.78 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 44.4 t60 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.045 179.517 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -119.8 123.02 42.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.694 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -104.52 126.28 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -112.32 115.89 29.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.581 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' HB ' ' OE1' ' A' ' 121' ' ' GLN . 17.2 m -114.34 141.46 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.76 176.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 10.1 pt-20 -145.08 148.44 33.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.572 . . . . 0.0 111.913 -175.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.495 ' OG1' ' HD3' ' A' ' 128' ' ' LYS . 15.4 t -140.63 136.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.865 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 49.3 m -100.75 112.39 24.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.029 0.442 . . . . 0.0 110.837 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' ALA . 10.7 t -96.49 143.81 11.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.47 7.37 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 111.61 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -107.38 146.08 32.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.612 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.85 150.65 87.67 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.819 2.346 . . . . 0.0 112.447 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.27 -28.34 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.692 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.58 -36.53 93.34 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.591 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -82.81 -39.69 21.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.562 -0.376 . . . . 0.0 110.274 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.82 -39.3 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.47 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 56.0 t-105 -52.69 -50.35 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.502 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -79.57 -32.2 42.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.232 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.72 71.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.084 0.469 . . . . 0.0 110.902 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.32 -17.56 39.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.813 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.1 p -109.8 -3.07 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.558 ' O ' HG13 ' A' ' 26' ' ' ILE . 74.3 m -95.62 108.88 42.73 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 52.7 Cg_exo -52.02 -42.18 60.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.54 2.827 . . . . 0.0 113.423 -173.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.77 -35.07 78.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.645 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -33.84 24.25 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.565 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 70.2 mt -52.99 -43.51 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.96 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 92.2 mttt -58.52 -18.79 32.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.691 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -98.92 -7.7 26.73 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 39.4 p-90 -127.15 -18.87 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.086 176.686 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -78.09 94.8 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.239 0.543 . . . . 0.0 110.613 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.86 120.35 2.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.364 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.17 -13.68 56.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.269 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.426 ' HB3' ' HD1' ' A' ' 36' ' ' TRP . 35.5 t -163.93 169.15 18.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -72.07 -8.58 55.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.501 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.03 -30.77 20.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.62 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.426 ' HD1' ' HB3' ' A' ' 33' ' ' SER . 80.5 m95 -93.75 140.07 30.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.857 0.36 . . . . 0.0 110.706 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 -147.44 148.1 30.91 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.328 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 9.8 m -81.49 108.48 15.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.32 -28.5 31.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.363 -174.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.8 21.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.065 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.71 120.72 7.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.937 0.399 . . . . 0.0 110.984 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.9 m -128.74 113.23 15.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.55 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.1 t -115.7 129.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -175.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.67 102.38 10.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -85.75 94.63 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.585 -171.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -168.58 159.11 9.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.967 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 43.0 mt-10 -74.55 106.54 6.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.986 0.422 . . . . 0.0 109.967 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.97 -7.51 21.62 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -173.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.24 -170.68 41.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.823 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.28 164.97 37.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.856 0.36 . . . . 0.0 111.022 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.55 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.8 p90 -127.57 142.68 51.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.937 176.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 p -115.3 111.01 20.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.999 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 66' ' ' PHE . 19.5 t -112.35 113.42 25.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.111 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -85.48 96.46 9.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.2 mmm -97.6 114.02 25.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.36 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 46.9 mt-10 -133.23 163.62 28.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.266 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.77 157.98 15.65 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.031 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.15 -13.37 60.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -23.11 61.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.112 0.482 . . . . 0.0 110.119 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -6.14 63.15 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.081 -0.58 . . . . 0.0 113.315 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -98.63 -55.54 2.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.309 0.554 . . . . 0.0 111.243 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.82 120.41 24.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.914 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . -165.32 141.97 7.4 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -150.57 166.49 30.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 111.311 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.35 106.31 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.823 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 53' ' ' SER . 54.5 t80 -90.08 105.23 17.67 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.74 134.48 52.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.74 136.33 8.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.787 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 m -96.37 124.94 40.54 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -75.13 109.72 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.253 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -85.46 -40.34 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.138 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 9.1 tmtm? -152.62 129.76 11.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.188 0.518 . . . . 0.0 109.641 176.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.473 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 46.3 t -129.52 141.05 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.426 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.2 p -142.59 124.08 12.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.229 0.537 . . . . 0.0 110.365 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.458 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.4 tt0 -57.72 129.49 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.515 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 63.5 23.65 13.74 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.687 174.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HG13 ' A' ' 74' ' ' VAL . 83.1 tttt -134.54 -69.07 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.76 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' H ' HG13 ' A' ' 74' ' ' VAL . 20.8 ptt85 -158.49 150.99 21.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.373 0.606 . . . . 0.0 111.706 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -121.77 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.341 175.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 89' ' ' LYS . 35.0 tt0 -112.42 123.63 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.22 142.87 48.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.73 134.47 52.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -128.21 99.01 5.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.665 0.745 . . . . 0.0 109.812 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.11 -120.94 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.697 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.45 1.68 49.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.326 . . . . 0.0 111.223 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 106' ' ' VAL . 11.8 mtm180 -122.1 150.07 42.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.718 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.466 ' H ' HG12 ' A' ' 106' ' ' VAL . 11.3 t -133.72 150.63 51.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.73 134.25 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.556 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -113.39 113.12 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 178.746 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.93 109.77 22.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.881 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.82 150.06 26.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -114.28 104.37 12.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.7 mt -105.39 108.48 20.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.638 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 99' ' ' VAL . 35.8 mt-10 -70.94 114.57 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.447 0.642 . . . . 0.0 111.191 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.8 159.32 29.99 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.14 174.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 10.8 Cg_endo -55.39 -28.23 62.33 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.664 2.243 . . . . 0.0 113.188 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG3' HG21 ' A' ' 8' ' ' THR . 4.1 pt20 -93.17 -10.47 35.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.77 179.26 29.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.665 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 94' ' ' GLU . 57.8 t -90.2 117.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.022 0.439 . . . . 0.0 110.708 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.9 m -88.88 108.79 19.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.438 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' HE2' ' A' ' 127' ' ' PHE . 48.7 t -82.21 114.08 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.579 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 10.8 ttp180 -114.63 118.36 33.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.759 -173.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.3 t -103.32 107.19 21.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.7 t -101.64 107.75 19.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -124.0 148.36 47.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 86' ' ' ARG . 7.6 p -78.34 119.34 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.484 0.659 . . . . 0.0 109.254 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.77 147.43 26.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.032 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -89.31 136.17 33.17 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -14.01 49.81 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HB2' ' OE1' ' A' ' 108' ' ' GLU . 34.0 mm-40 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.206 0.527 . . . . 0.0 109.632 172.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 48.3 m-85 -82.52 139.44 44.36 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.07 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 25.3 Cg_exo -62.73 138.2 67.96 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.42 2.08 . . . . 0.0 111.808 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.07 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.05 0.452 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 10.6 mp0 -54.45 -53.78 49.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.664 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -57.79 -43.46 85.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.5 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.17 -49.26 37.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.518 -176.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -65.59 -57.9 7.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.958 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -67.32 -28.36 67.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.551 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.23 -55.26 24.74 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.01 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -67.59 -35.66 79.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.428 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 47.9 tp60 -65.63 -38.51 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.515 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.94 93.7 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.889 0.376 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.67 -44.69 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.971 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 74.2 mt -64.64 -29.51 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.584 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -65.64 -52.97 47.65 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.244 0.545 . . . . 0.0 109.951 175.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.59 -42.59 97.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.833 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.5 t80 -57.52 -55.07 39.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.764 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 129' ' ' ARG . 59.5 pttt -57.01 -48.84 77.51 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.273 -174.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 15.3 ptt180 -75.25 -23.72 57.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.748 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 59.8 t60 -69.78 -41.02 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.702 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 127' ' ' PHE . 60.6 t -68.24 -42.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.386 . . . . 0.0 110.485 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -64.2 -42.91 96.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.8 p -75.25 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.933 0.397 . . . . 0.0 110.665 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 2.4 t60 -84.75 -1.84 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.99 8.78 4.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.73 0.776 . . . . 0.0 109.002 171.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.56 ' HG3' ' H ' ' A' ' 137' ' ' HIS . 9.4 pt-20 -48.57 -67.07 0.3 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.828 -1.533 . . . . 0.0 113.716 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.56 ' H ' ' HG3' ' A' ' 136' ' ' GLU . 27.9 m80 -129.04 172.27 11.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.992 0.425 . . . . 0.0 111.536 -170.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.67 -1.94 31.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.539 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -113.12 147.87 36.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.215 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -82.86 106.97 15.12 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.724 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -59.56 117.65 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.416 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.25 1.093 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.8 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HG23 ' A' ' 109' ' ' THR . 12.8 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.983 0.42 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -89.7 113.22 24.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.827 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.22 122.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -110.32 114.57 28.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.89 137.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 1.4 pp20? -143.71 147.84 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.149 0.5 . . . . 0.0 111.942 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 t -151.24 151.42 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.365 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 13.8 m -99.06 137.42 37.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 111.535 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.2 t -109.53 140.92 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.46 11.96 6.24 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -109.44 150.54 41.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.696 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.53 161.75 26.83 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 122.922 2.415 . . . . 0.0 112.221 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 99' ' ' VAL . 10.7 p -61.48 -30.62 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.714 -173.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -33.84 85.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -81.21 -42.0 21.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.14 -48.61 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.081 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 51.5 t-105 -58.06 -50.33 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.285 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -70.56 -35.19 72.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.652 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.24 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 110.699 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -83.41 -16.24 46.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.968 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -113.17 3.28 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 92.9 m -101.18 108.76 56.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.704 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.2 -47.58 19.21 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.567 2.844 . . . . 0.0 113.457 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 9.1 tp10 -54.88 -48.81 72.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.492 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 17.4 t70 -72.66 -38.06 67.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.784 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' THR . 84.3 mt -54.04 -41.71 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.397 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 10.0 mtmp? -64.67 -8.18 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.889 -176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -97.53 -23.79 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.718 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 52.4 p-90 -119.47 -16.97 8.85 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -76.96 88.96 3.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.339 0.59 . . . . 0.0 110.934 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.9 116.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.915 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.42 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.308 0.575 . . . . 0.0 110.402 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -134.82 171.09 14.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.69 4.57 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.61 -26.69 41.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.065 0.46 . . . . 0.0 109.958 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.8 m95 -109.49 163.76 13.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.424 -172.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -157.44 153.72 27.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.154 175.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.597 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 28.3 m -89.27 112.89 24.06 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.49 -35.57 27.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.987 -173.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.48 139.13 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.985 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -140.18 122.3 15.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.4 m -123.73 120.81 33.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.4 t -128.7 107.94 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.26 89.45 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.39 91.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.097 0.475 . . . . 0.0 110.605 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 8.8 ptm180 -172.37 153.93 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.042 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.12 120.68 11.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.01 1.3 67.44 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.766 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -99.35 160.71 19.83 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.63 161.43 27.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.366 0.583 . . . . 0.0 111.369 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -118.34 142.37 47.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.189 173.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -126.93 102.82 7.17 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.7 t -104.33 106.18 16.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 7.8 tpt180 -82.03 93.47 6.99 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.1 mtp -100.77 113.1 25.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.127 0.489 . . . . 0.0 109.964 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.488 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 54.1 mt-10 -128.14 161.52 29.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.91 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -80.41 153.59 28.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -64.36 -16.94 63.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.953 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -86.4 -16.69 36.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.14 -19.98 19.16 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.213 -0.517 . . . . 0.0 113.422 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m -64.47 -53.19 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.6 mtp -99.89 149.29 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 164.94 149.75 5.94 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.484 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -162.27 148.76 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.2 p-10 -93.96 113.75 25.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.687 0.756 . . . . 0.0 110.589 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -89.77 117.61 28.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.202 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.03 143.26 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.38 157.01 27.03 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 m -111.83 131.79 55.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.181 0.491 . . . . 0.0 111.069 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -77.59 114.32 16.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.3 p -92.65 -39.31 11.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 10.0 ttmm -132.61 130.7 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.277 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.17 107.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.977 0.417 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.4 p -115.96 105.75 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.581 0.705 . . . . 0.0 109.311 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.3 tt0 -57.61 140.31 51.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.109 -172.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 67.46 12.05 8.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.05 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HB2' HG13 ' A' ' 74' ' ' VAL . 68.0 mttm -128.35 -75.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.278 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 20.8 ptt180 -157.77 152.56 25.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 112.41 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.0 mt -117.05 127.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.191 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 34.4 tt0 -118.81 119.77 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 38.9 p90 -134.2 155.03 50.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.004 0.431 . . . . 0.0 110.851 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.92 137.54 54.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.913 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.67 107.18 9.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.465 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.31 -130.28 29.24 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.15 1.45 56.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.904 0.383 . . . . 0.0 110.997 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -103.98 166.2 10.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t -147.11 151.46 36.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.26 125.0 18.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -113.59 117.4 31.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.273 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 103' ' ' VAL . 48.7 t -101.87 111.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.352 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 78' ' ' ARG . 28.3 mt-10 -106.45 134.66 49.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.63 102.66 12.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 82.9 mt -87.37 107.84 18.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.947 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 105.6 4.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.02 162.72 18.76 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.257 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.6 Cg_endo -59.82 -26.01 81.01 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.472 2.114 . . . . 0.0 112.961 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -91.89 -17.96 24.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.691 0.281 . . . . 0.0 111.532 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.27 -160.84 30.44 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 13' ' ' VAL . 58.7 t -108.14 123.71 63.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 117.366 0.583 . . . . 0.0 110.92 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 24.2 m -93.69 116.21 28.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.224 178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.9 t -87.32 106.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.12 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 60.4 ttt-85 -105.65 111.74 24.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.166 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 90' ' ' VAL . 46.0 t -107.16 113.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.813 0.34 . . . . 0.0 110.951 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.2 m -108.0 107.11 17.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.516 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -125.23 149.27 48.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.052 0.453 . . . . 0.0 111.429 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -86.58 114.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.306 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -119.38 149.37 41.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.371 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 111' ' ' TYR . 1.9 mp0 -73.3 151.05 41.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.984 0.421 . . . . 0.0 110.771 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.74 -9.58 55.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.97 -37.86 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.673 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 108' ' ' GLU . 95.5 m-85 -78.33 148.16 73.62 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.09 102.3 0.08 OUTLIER 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.639 2.226 . . . . 0.0 112.478 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.6 t -55.64 -36.49 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -54.79 -52.12 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.879 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -74.0 -30.59 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.193 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.6 -50.77 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.349 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.97 -41.92 88.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.67 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.6 36.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.104 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -66.37 -37.08 84.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.711 0.291 . . . . 0.0 111.055 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.72 -34.25 77.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.78 97.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.91 -41.28 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.48 -43.46 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -68.16 -38.74 82.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.815 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -62.39 -46.01 90.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 131' ' ' VAL . 66.8 t80 -60.83 -46.64 89.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.85 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 61.1 tttp -54.08 -58.51 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.122 0.264 . . . . 0.0 110.79 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.96 -34.2 69.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.029 0.443 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.492 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 45.0 t60 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.783 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' A' ' 134' ' ' HIS . 48.4 t -80.64 -35.08 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 47.5 mm-40 -58.61 -33.54 70.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.252 0.549 . . . . 0.0 109.83 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 m -91.35 -7.78 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 131' ' ' VAL . 0.3 OUTLIER -85.66 -13.67 47.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.967 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.83 136.45 57.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.798 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -64.0 117.4 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.564 0.697 . . . . 0.0 112.246 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 138' ' ' HIS . 51.6 p-80 -142.12 -173.1 3.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.222 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 139' ' ' HIS . 3.8 t-80 71.82 -83.75 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 138' ' ' HIS . 4.6 t60 171.45 80.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.47 104.97 7.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.054 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -116.76 99.5 7.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.048 0.452 . . . . 0.0 109.951 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 62.0 m80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.669 179.379 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -127.28 124.77 39.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 63.1 mt -102.46 143.68 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 m -125.47 112.01 15.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.219 0.533 . . . . 0.0 110.823 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.36 159.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.973 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -155.38 160.13 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.213 0.53 . . . . 0.0 111.882 -178.084 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 12.5 t -156.66 123.25 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.068 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 32.8 m -90.12 104.67 17.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.1 0.476 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.8 t -84.35 138.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.9 11.9 6.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 111.591 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -105.61 152.73 40.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.114 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.28 149.84 83.4 Favored 'Trans proline' 0 C--O 1.239 0.545 0 C-N-CA 122.699 2.266 . . . . 0.0 112.042 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.09 -27.2 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.405 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.26 83.97 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -85.11 -39.41 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.693 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.45 -43.79 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 58.4 t-105 -60.36 -47.67 85.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.062 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -73.29 -36.18 66.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.116 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.69 81.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.834 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -81.01 -10.92 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -118.36 3.87 11.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 26' ' ' ILE . 85.2 m -104.22 103.39 38.32 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.9 Cg_endo -51.48 -41.3 60.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.672 2.915 . . . . 0.0 113.605 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.88 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.569 0.224 . . . . 0.0 111.378 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.05 -39.69 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.529 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 83.7 mt -52.64 -43.71 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -56.21 -18.19 9.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.297 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -90.74 -28.12 18.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 53.0 p-90 -116.56 -12.31 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -78.39 90.38 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.254 0.55 . . . . 0.0 110.818 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.734 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.62 -36.66 12.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' ' HD1' ' A' ' 36' ' ' TRP . 30.8 m -118.56 143.68 46.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.52 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.19 -18.5 61.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.45 -8.99 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' HG3' ' A' ' 55' ' ' MET . 71.5 m95 -111.07 165.29 12.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.935 0.398 . . . . 0.0 110.361 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.44 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.0 p80 -163.13 148.24 11.51 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -80.07 114.8 19.25 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.75 -41.89 17.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.49 . . . . 0.0 110.796 -177.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -138.41 119.5 14.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.677 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.28 103.74 10.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.386 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -108.82 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.59 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 26' ' ' ILE . 96.0 t -133.62 115.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.762 -175.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -110.02 103.19 11.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.041 0.448 . . . . 0.0 109.933 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.0 tp -76.86 102.78 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.54 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -172.98 151.56 2.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.469 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 30.2 mt-10 -70.92 106.7 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.04 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.41 -8.34 26.52 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -172.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.84 176.07 52.02 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.23 164.89 28.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 117.246 0.523 . . . . 0.0 111.031 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -127.78 152.23 48.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.502 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -140.69 104.09 4.65 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.634 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -106.94 110.57 22.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.767 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HB3' ' H ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -81.8 94.37 7.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.602 ' HG3' ' CE3' ' A' ' 36' ' ' TRP . 54.9 tpp -84.76 113.6 21.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 33.4 tt0 -130.15 152.38 49.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -174.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.66 50.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -61.65 -36.67 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -75.72 -20.52 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.93 17.35 38.2 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.117 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -68.11 -60.91 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.262 0.553 . . . . 0.0 111.046 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.94 171.21 8.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.674 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.71 139.8 2.73 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.592 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.94 147.54 29.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.773 0.32 . . . . 0.0 110.331 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.14 110.26 19.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.845 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -85.95 107.1 17.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.42 147.45 42.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.429 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 162.04 34.64 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.9 m -110.41 133.88 52.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.124 0.462 . . . . 0.0 110.96 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 92.9 m-85 -75.21 104.85 5.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -83.88 -37.02 22.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.363 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -143.57 120.75 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 72.2 t -130.15 105.93 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.38 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -115.33 118.39 58.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.4 tt0 -64.77 135.09 55.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.865 -169.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 68.53 15.48 9.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.412 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.824 ' HB2' HG13 ' A' ' 74' ' ' VAL . 75.7 mmtt -125.77 -70.2 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -157.81 152.37 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 111.073 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.9 mt -118.77 108.41 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.506 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 40.9 mt-10 -105.26 110.83 23.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.781 0.324 . . . . 0.0 110.405 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 28.2 p90 -121.33 137.75 54.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.161 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -124.87 140.65 52.73 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.844 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -123.67 96.1 4.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.19 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.08 -115.7 4.38 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.041 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.58 -12.51 22.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.794 0.806 . . . . 0.0 109.765 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -105.09 125.82 51.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.681 -172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.7 t -124.04 149.6 45.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -124.19 121.02 33.95 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.51 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 33.8 ttpt -112.85 116.45 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.19 0.519 . . . . 0.0 110.948 -174.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.23 110.14 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.03 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HG3' ' HG2' ' A' ' 89' ' ' LYS . 29.7 mt-10 -106.73 133.58 51.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.974 0.416 . . . . 0.0 110.205 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -101.0 110.79 22.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.253 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.551 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.6 mt -96.7 104.22 16.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.184 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.27 107.35 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.94 162.73 18.8 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.073 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.22 -27.89 72.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.163 1.909 . . . . 0.0 112.742 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -107.11 19.11 20.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.847 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.13 -153.6 23.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.62 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.35 112.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.673 0.273 . . . . 0.0 110.432 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 48.7 m -84.67 102.98 13.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.088 0.47 . . . . 0.0 110.12 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.7 t -82.68 106.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.884 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 102' ' ' ARG . 46.9 ttp85 -106.19 119.59 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.052 0.454 . . . . 0.0 110.313 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -104.02 119.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -107.87 108.17 19.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 46.2 p90 -127.51 147.79 50.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.019 0.438 . . . . 0.0 110.978 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.65 137.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.877 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -134.22 147.29 50.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.269 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.64 146.61 24.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.1 p -81.43 -10.79 59.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.45 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -66.46 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.746 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.94 152.96 38.69 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.912 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.532 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 50.7 Cg_exo -55.76 107.56 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.731 2.287 . . . . 0.0 112.536 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.2 t -54.63 -40.44 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.649 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.8 -50.2 71.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.625 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.3 -21.7 63.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.086 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 47.7 mt-30 -76.6 -48.9 17.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.53 -53.01 63.05 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.786 177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.127 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.85 -53.35 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.525 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -68.65 -36.72 78.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.712 0.291 . . . . 0.0 110.868 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.31 -39.61 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.119 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.05 91.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.67 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.116 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 72.0 mt -68.53 -31.98 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.31 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.7 -45.09 79.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 63.4 t30 -70.62 -34.08 71.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.877 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 131' ' ' VAL . 87.6 t80 -59.34 -51.76 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.162 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -54.03 -54.33 40.73 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 5.9 ptp180 -62.51 -31.15 71.87 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 -176.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.26 -39.45 28.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.238 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 96.5 t -67.55 -40.79 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.427 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -73.85 -18.74 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.032 0.444 . . . . 0.0 110.518 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -78.44 -13.38 59.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.999 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 2.4 m-70 -77.05 -19.5 57.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.042 0.449 . . . . 0.0 110.037 174.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.12 135.72 38.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.804 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 93.63 8.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.262 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -131.49 62.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 111.543 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.6 151.3 1.48 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.605 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 73.5 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.159 0.912 . . . . 0.0 110.509 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -143.89 101.35 3.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -124.06 9.59 8.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.334 0.588 . . . . 0.0 109.939 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.44 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -82.34 104.59 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.38 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -91.23 119.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.566 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 m -108.62 110.4 21.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.14 0.495 . . . . 0.0 110.749 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.07 156.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.713 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -136.23 165.81 24.89 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 110.533 -179.167 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.6 ' OG1' ' HB3' ' A' ' 124' ' ' LEU . 1.2 m -158.7 115.08 2.71 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.485 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -86.08 111.4 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.064 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.2 t -101.81 141.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 174.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.44 -14.65 58.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 0.0 111.419 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.477 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -76.04 145.5 77.35 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.553 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.31 160.2 46.4 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 122.856 2.37 . . . . 0.0 112.223 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.14 -27.81 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.836 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.86 -33.77 74.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.563 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -85.64 -44.57 12.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 0.0 110.411 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.67 -43.85 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.238 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 63.4 t-105 -59.49 -45.88 90.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -71.31 -41.86 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.39 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 22.3 t80 -79.19 -16.97 55.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.206 -176.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -112.26 -7.49 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.568 ' O ' HG13 ' A' ' 26' ' ' ILE . 41.7 m -96.08 111.75 57.32 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.429 -0.169 . . . . 0.0 110.943 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 17.7 Cg_endo -56.56 -36.31 97.76 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.143 2.562 . . . . 0.0 112.885 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.55 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.972 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -91.74 -34.72 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.072 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 22' ' ' THR . 71.2 mt -54.9 -39.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.55 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 59.3 mtmt -61.25 -10.49 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -98.64 -35.09 10.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 53.5 p-90 -105.44 -10.77 16.74 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.402 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 3.3 t-20 -76.27 -3.01 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.325 0.584 . . . . 0.0 110.716 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.32 117.0 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.19 68.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.056 0.455 . . . . 0.0 111.106 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -153.81 164.84 37.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.79 -33.81 68.95 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -76.93 -6.92 54.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -116.95 148.72 41.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.404 ' HB3' ' HD2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -148.04 154.16 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 0.0 111.399 -179.362 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.468 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 11.5 m -90.3 108.67 19.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -29.06 31.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -172.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -154.91 144.43 21.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.046 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.21 18.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.875 0.369 . . . . 0.0 110.959 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.8 m -135.17 118.84 17.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.489 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.1 t -123.45 132.65 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -172.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -122.02 102.08 7.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -84.29 97.69 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.861 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -172.75 159.43 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.539 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 72' ' ' LYS . 2.2 mp0 -68.2 104.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.0 -4.13 25.61 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.691 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.65 148.6 19.05 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -113.33 161.8 16.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.089 0.471 . . . . 0.0 111.169 -177.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' HB2' HG22 ' A' ' 43' ' ' VAL . 44.7 p90 -131.36 142.42 50.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.461 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -120.45 125.8 48.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 t -125.21 118.03 25.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 54' ' ' ARG . 7.3 tpt180 -86.22 93.49 9.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.775 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 ttm -97.65 113.51 25.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -135.17 165.6 25.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.19 144.73 26.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' ' HB3' ' A' ' 37' ' ' HIS . 53.2 mtpt -86.44 -29.19 23.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.402 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.07 -22.63 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.533 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -140.05 -141.93 4.12 Favored Glycine 0 N--CA 1.437 -1.284 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.166 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -115.95 -11.67 11.46 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.552 -0.324 . . . . 0.0 111.298 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ttt -57.99 125.66 24.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.99 166.82 37.23 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -149.07 153.72 38.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.064 0.459 . . . . 0.0 110.963 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.07 100.57 13.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.624 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -92.54 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.525 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.68 147.58 49.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -155.17 150.51 22.02 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.82 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 45.9 m -112.06 130.32 55.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 110.893 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -71.14 121.3 18.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -85.63 -38.68 18.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 6.2 mmtt -154.31 128.84 9.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.367 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -126.78 111.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.79 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.744 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.0 p -110.72 121.91 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tt0 -66.38 132.47 48.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.097 -167.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 67.26 18.5 10.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.835 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.744 ' HB2' HG13 ' A' ' 74' ' ' VAL . 25.5 mmtp -128.49 -73.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.625 0.25 . . . . 0.0 111.257 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -153.24 149.22 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.473 . . . . 0.0 111.012 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -116.54 115.4 48.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.562 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.506 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 44.0 mt-10 -111.48 117.7 33.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.892 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.92 150.38 49.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -114.56 116.91 29.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.371 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 20.3 p90 -101.47 109.13 20.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.204 0.526 . . . . 0.0 109.965 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -115.24 7.54 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.253 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -98.64 0.84 45.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.738 0.304 . . . . 0.0 111.032 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HG2' HG13 ' A' ' 106' ' ' VAL . 7.8 mtm180 -118.12 179.28 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 12.4 t -153.28 156.63 38.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.953 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.16 139.27 41.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.172 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 19.6 ttmm -112.8 111.66 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.11 112.46 39.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.335 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 102' ' ' ARG . 38.7 mt-10 -106.87 136.53 46.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.393 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.77 102.91 13.08 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.34 103.84 13.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.225 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.558 ' HG2' HG22 ' A' ' 99' ' ' VAL . 46.3 mt-10 -66.55 119.52 11.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.404 0.621 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.41 164.99 13.77 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.645 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.0 Cg_endo -60.39 -17.83 49.7 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.264 1.976 . . . . 0.0 112.408 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.09 3.94 26.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.689 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.32 -132.63 4.55 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.538 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 94' ' ' GLU . 97.9 t -132.28 127.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.918 0.39 . . . . 0.0 110.288 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.7 m -93.21 113.67 25.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.344 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.1 t -84.36 107.71 15.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 37.6 ttt180 -99.99 109.25 21.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.993 -176.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -109.66 107.46 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.907 0.384 . . . . 0.0 110.744 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 t -111.23 106.24 15.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -120.42 151.43 39.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.169 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 86' ' ' ARG . 4.9 p -84.55 113.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.715 0.769 . . . . 0.0 110.235 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -107.49 147.81 30.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.868 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -75.97 143.01 41.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.958 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.5 1.54 41.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.255 0.55 . . . . 0.0 110.548 173.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -75.41 -23.66 57.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.688 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -110.34 149.42 40.15 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.985 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 130.12 33.97 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.459 2.106 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.45 -40.21 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.2 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 mp0 -55.39 -53.59 54.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.598 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.56 -45.3 93.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.682 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.85 -39.33 93.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.61 -51.39 62.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 -33.99 77.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.358 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.3 47.42 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.999 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -70.25 -33.85 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.57 -40.86 98.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.446 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.56 -42.42 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.6 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 36.9 mt -64.64 -35.42 80.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.5 -39.31 85.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.754 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 43.6 t30 -69.19 -42.62 75.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 131' ' ' VAL . 92.5 t80 -55.39 -51.71 65.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.582 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.498 ' CE ' HG23 ' A' ' 7' ' ' THR . 39.4 ttmt -50.29 -53.11 30.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -67.37 -35.94 80.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.1 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -71.54 -33.08 68.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.475 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.9 t -78.75 -33.1 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -27.06 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.294 0.569 . . . . 0.0 110.112 171.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.5 m -84.4 5.36 27.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -110.37 13.46 22.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.136 0.493 . . . . 0.0 110.082 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 11' ' ' ALA . 87.7 mt -88.64 145.87 25.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.232 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -100.54 149.61 23.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.371 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -74.67 155.73 37.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 166.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.16 -83.25 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -169.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.526 ' O ' ' HB2' ' A' ' 140' ' ' HIS . 60.6 t60 51.59 -92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -167.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 139' ' ' HIS . 2.5 t-160 169.36 93.72 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.95 90.85 2.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.785 0.802 . . . . 0.0 110.509 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.403 -177.759 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -115.15 137.22 52.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.199 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.1 mt -106.11 110.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.0 m -98.66 110.55 23.13 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.253 0.549 . . . . 0.0 110.536 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.6 m -116.17 145.23 22.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.376 176.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 9.6 pt-20 -151.3 153.55 35.03 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.208 0.527 . . . . 0.0 111.48 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -144.84 141.17 28.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.257 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 18.0 m -101.52 111.99 24.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.693 0.283 . . . . 0.0 110.736 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 11' ' ' ALA . 12.1 t -98.39 130.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.066 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -3.84 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 15' ' ' LYS . . . -84.09 152.33 61.73 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.51 162.2 35.0 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.426 2.084 . . . . 0.0 111.785 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.18 -24.22 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.352 -175.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.35 -43.31 98.75 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.569 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 mttm -72.55 -44.45 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.162 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.01 -48.15 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.342 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -57.49 -44.52 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.98 0.419 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -73.74 -44.06 57.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.372 -173.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.19 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 111.674 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -86.37 -21.99 26.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.706 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -104.01 -25.22 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' HG13 ' A' ' 26' ' ' ILE . 56.5 m -72.31 114.76 32.45 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.46 0.172 . . . . 0.0 110.838 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.2 Cg_exo -54.08 -35.67 82.42 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.176 2.584 . . . . 0.0 113.175 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.27 -37.13 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.5 -40.0 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 22' ' ' THR . 74.8 mt -53.2 -44.51 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.171 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.7 mtmt -65.77 -8.15 19.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.754 0.311 . . . . 0.0 111.829 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -94.66 -40.0 10.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 46.3 p-90 -106.88 -17.87 14.08 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -81.08 93.71 6.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.126 0.489 . . . . 0.0 110.912 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.87 122.73 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.762 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.26 60.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.23 0.538 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -153.61 163.1 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.632 ' O ' ' HE2' ' A' ' 58' ' ' LYS . 16.2 t70 -64.64 -30.57 71.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 0.0 110.437 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.28 -22.67 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.128 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -107.27 156.19 19.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.251 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -154.69 156.36 36.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.243 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.542 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 32.7 m -86.8 113.13 22.36 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -41.44 19.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.215 0.531 . . . . 0.0 110.873 -173.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.32 120.34 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.65 112.91 21.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.2 m -112.05 113.31 25.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.768 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 75.4 t -125.32 116.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.152 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -102.48 91.37 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 104.23 6.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.631 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 46' ' ' ARG . 19.7 ptt-85 -169.28 160.84 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.606 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.31 113.02 11.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.59 -2.76 39.38 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.67 173.1 39.81 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.666 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.6 35.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.008 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -137.3 154.06 50.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.001 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -139.95 117.03 11.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -118.31 120.83 38.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.65 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 56' ' ' GLU . 18.1 mmm180 -83.55 98.09 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 45.9 ttm -96.57 111.93 23.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 38.5 mt-10 -135.8 164.29 28.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.963 0.411 . . . . 0.0 110.607 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.86 156.57 24.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HE2' ' O ' ' A' ' 34' ' ' ASP . 65.2 mttm -53.73 -47.99 70.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.838 0.351 . . . . 0.0 111.509 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.31 -12.59 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.103 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.91 0.19 89.65 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.648 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 m -56.17 -45.06 79.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.0 mtp -122.42 156.58 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.588 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . 163.92 139.53 2.66 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.974 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -141.81 162.39 35.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.665 0.269 . . . . 0.0 110.332 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.7 113.26 26.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 110.218 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -90.19 107.13 18.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.97 136.8 55.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.98 172.34 31.99 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.842 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -116.52 131.1 57.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.531 0.205 . . . . 0.0 110.642 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -77.12 105.78 8.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -90.94 -13.07 34.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.818 0.342 . . . . 0.0 111.331 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.918 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -147.21 117.63 7.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 176.846 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.01 106.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.429 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.5 p -128.92 118.66 47.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.484 0.659 . . . . 0.0 110.166 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.45 136.7 58.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.974 -172.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 69.04 6.46 5.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.442 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.544 ' HB3' HG13 ' A' ' 74' ' ' VAL . 57.2 tttp -120.69 -76.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.545 -177.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 HH21 ' HD3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -158.82 165.09 35.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.927 0.394 . . . . 0.0 111.878 -173.491 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -132.99 128.16 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.162 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.918 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.9 mt-10 -117.32 130.55 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.67 143.19 34.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.466 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.66 144.95 44.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.578 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -135.96 99.56 4.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 109.679 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.44 -113.52 5.38 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.145 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.1 -28.58 19.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.07 0.462 . . . . 0.0 110.785 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 8.3 mpt_? -98.19 151.63 20.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 -172.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.6 t -137.22 147.9 46.14 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.78 132.06 55.51 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' HE2' ' OE2' ' A' ' 80' ' ' GLU . 38.7 ttmt -112.8 111.03 21.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.057 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -110.21 111.69 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.095 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.91 134.77 54.35 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.33 104.1 16.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -104.17 106.6 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.356 -175.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 42.3 tt0 -74.8 108.77 7.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.22 0.534 . . . . 0.0 110.827 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.91 166.94 10.21 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.75 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.9 Cg_endo -66.37 -8.75 21.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.29 1.993 . . . . 0.0 111.78 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -93.9 -4.44 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.968 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.94 16.34 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 61.9 t -79.26 115.97 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.181 0.515 . . . . 0.0 109.98 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.0 m -90.48 108.37 19.75 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.359 -178.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.8 t -82.6 105.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -105.07 116.48 32.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.322 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG22 HG13 ' A' ' 90' ' ' VAL . 48.3 t -112.91 110.13 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -112.38 112.83 24.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 44.5 p90 -122.0 150.43 42.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -176.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.7 122.41 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.841 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.4 147.24 50.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 -175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' CD ' ' HE ' ' A' ' 86' ' ' ARG . 4.9 mp0 -78.84 146.32 33.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -91.17 -13.44 32.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.41 ' OE1' ' HB3' ' A' ' 108' ' ' GLU . 1.6 pm0 -71.39 -29.57 65.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -82.79 141.34 44.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.592 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 34.3 Cg_exo -57.7 106.05 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.663 2.242 . . . . 0.0 112.867 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.21 -34.85 50.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.84 -47.23 67.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.575 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.32 -41.19 85.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 44.3 mt-30 -68.72 -50.52 50.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.732 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.1 -52.31 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.16 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -64.18 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.288 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.04 -52.79 38.25 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.014 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.5 m95 -68.29 -36.01 78.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.523 0.201 . . . . 0.0 111.308 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -41.18 98.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.41 96.35 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.551 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 119' ' ' GLY . 84.1 mt -60.13 -45.07 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.31 -42.32 88.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.328 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 80.5 m-20 -66.61 -40.31 88.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 66.7 t30 -64.38 -39.15 93.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 131' ' ' VAL . 64.0 t80 -59.59 -50.1 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.394 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -54.8 -49.07 71.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.293 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 64.2 mtp180 -67.38 -34.56 77.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.67 -36.4 74.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.796 0.331 . . . . 0.0 110.366 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.534 HG12 HD23 ' A' ' 135' ' ' LEU . 47.0 t -81.93 -57.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.099 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.18 -17.65 64.39 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 p -56.94 -34.86 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.706 0.289 . . . . 0.0 111.767 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -141.76 -33.57 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 131' ' ' VAL . 81.8 mt 68.86 -37.71 0.37 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 113.153 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -106.61 178.54 4.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.61 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 55.93 84.74 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.826 0.704 . . . . 0.0 111.762 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -150.63 -44.7 0.12 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.017 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.432 ' HA ' ' OXT' ' A' ' 142' ' ' HIS . 47.3 p-80 -66.56 121.47 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.669 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -103.61 -39.72 6.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 170.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -167.03 -24.0 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.955 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.432 ' OXT' ' HA ' ' A' ' 139' ' ' HIS . 3.1 p80 . . . . . 0 C--O 1.242 0.695 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 160.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.922 0.392 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.46 114.33 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.476 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 104' ' ' SER . 67.1 mt -94.18 136.36 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.1 m -118.11 111.48 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.0 111.118 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -115.61 137.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -150.08 154.87 38.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.935 0.398 . . . . 0.0 111.488 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 145.98 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.633 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.8 m -94.8 117.98 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -99.85 143.22 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.17 7.82 5.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.343 . . . . 0.0 111.762 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -91.82 148.64 37.51 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.732 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 12.7 Cg_exo -69.4 154.03 69.73 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.828 2.352 . . . . 0.0 111.48 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.56 -29.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.54 88.95 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.088 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -84.52 -41.25 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.675 0.274 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.11 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.487 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 45.9 t-105 -55.66 -49.32 73.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.87 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.38 -43.44 81.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.326 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.6 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 111.062 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -83.96 -14.45 50.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.015 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.545 ' HB ' HD22 ' A' ' 45' ' ' LEU . 22.8 p -120.65 0.37 10.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.8 m -102.38 107.7 54.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 122.225 -0.297 . . . . 0.0 110.583 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.12 -28.5 79.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.762 2.308 . . . . 0.0 113.012 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.85 -37.8 85.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.07 -34.38 15.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.09 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 71.0 mt -53.71 -42.41 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.795 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.4 -13.74 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.356 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 59.9 p-90 -131.42 -11.62 3.56 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.4 89.07 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.075 0.464 . . . . 0.0 110.643 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -173.54 135.67 0.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.665 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.47 0.13 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 0.0 110.396 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -145.02 147.12 32.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.215 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.9 -30.61 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.548 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.23 -23.47 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.733 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -100.05 144.25 29.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.158 0.504 . . . . 0.0 111.144 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -147.28 154.08 40.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.845 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -89.32 121.03 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.686 0.279 . . . . 0.0 110.468 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 p -84.0 -42.28 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 0.0 111.253 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.54 145.5 30.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.833 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -149.15 100.8 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -95.3 113.57 25.26 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.8 t -114.67 125.56 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.18 -176.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.24 100.9 9.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.7 tp -87.03 94.15 9.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.936 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -167.95 165.98 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' OE2' ' HG3' ' A' ' 72' ' ' LYS . 44.1 mt-10 -67.45 106.15 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.91 4.64 39.02 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.236 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.81 158.07 23.18 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.77 151.61 49.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.0 p90 -117.04 142.03 47.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 44.8 m -130.97 106.02 8.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.42 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.8 p -116.56 118.73 33.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.261 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 53.5 mtp180 -89.5 106.77 18.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.7 mtp -92.48 113.74 26.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.103 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 49.3 mt-10 -125.0 147.63 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.528 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.46 141.35 44.98 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -69.33 -14.56 63.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.004 0.43 . . . . 0.0 110.185 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.94 -22.94 65.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.996 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.14 5.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.039 -0.6 . . . . 0.0 113.934 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 m -68.88 -65.71 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.135 0.467 . . . . 0.0 112.021 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 79.7 mmm -79.83 134.46 36.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 111.873 -177.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -167.53 142.58 7.63 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.38 176.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.08 170.91 14.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.041 0.421 . . . . 0.0 110.768 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 12.5 p-10 -117.6 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.359 0.599 . . . . 0.0 110.166 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -93.34 124.04 37.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.52 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.99 124.13 41.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.37 138.71 10.37 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -109.05 125.91 52.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.881 0.341 . . . . 0.0 110.556 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -71.05 116.75 11.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.095 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -83.83 -33.94 24.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.142 0.496 . . . . 0.0 110.147 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 21.7 ttmm -155.46 145.99 22.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -135.22 115.81 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.317 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 78' ' ' ARG . 2.8 p -117.81 109.39 27.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.663 0.744 . . . . 0.0 109.652 175.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 43.1 tt0 -58.95 131.61 51.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.357 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 68.77 10.84 8.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.394 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.23 -68.09 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.917 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 90' ' ' VAL . 23.0 ptt180 -158.96 170.62 21.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.876 0.37 . . . . 0.0 111.252 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.1 mt -131.81 129.88 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.482 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' CD ' ' HE ' ' A' ' 78' ' ' ARG . 1.5 mt-10 -114.55 122.55 46.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.203 176.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -144.53 158.82 43.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 111.125 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -129.25 147.23 51.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -133.31 110.59 10.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.9 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.85 -104.13 1.57 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.695 -176.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -122.0 -2.86 9.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.455 0.645 . . . . 0.0 110.107 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -103.61 137.19 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.647 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.3 t -117.35 152.19 35.45 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 120.777 0.322 . . . . 0.0 110.222 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.23 134.07 47.82 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HE2' ' HB3' ' A' ' 89' ' ' LYS . 34.7 ttpt -112.79 111.97 23.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.872 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.3 t -102.65 115.21 44.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.099 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 102' ' ' ARG . 32.0 mt-10 -105.93 134.09 49.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -101.06 102.94 14.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 102' ' ' ARG . 68.0 mt -94.93 100.56 12.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -72.88 106.24 4.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.56 165.38 13.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.97 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 14.3 Cg_endo -57.58 -31.42 91.67 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.694 2.263 . . . . 0.0 112.63 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.69 -43.79 18.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.024 0.44 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.22 -174.95 46.83 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -90.36 114.82 28.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.431 0.634 . . . . 0.0 110.481 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 65.6 m -86.19 113.49 22.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.234 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.36 114.2 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.576 ' HD2' HD11 ' A' ' 93' ' ' LEU . 30.1 ttt180 -111.63 123.77 50.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.761 -173.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.65 107.2 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.785 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 47.4 m -103.91 104.89 14.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -118.96 150.0 40.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.62 110.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.262 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.92 138.02 31.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.833 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -92.92 129.48 38.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.998 0.428 . . . . 0.0 110.376 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -70.9 -15.27 62.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.369 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.28 6.95 40.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -134.27 155.61 79.73 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 115' ' ' GLN . 71.7 Cg_exo -50.12 104.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.736 2.29 . . . . 0.0 112.361 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.39 -42.71 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.847 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 52.6 mm-40 -62.02 -44.96 95.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 21.2 tp60 -69.32 -33.48 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.946 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 47.8 mt-30 -61.6 -46.87 87.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 3' ' ' ILE . 34.8 tt0 -59.57 -51.68 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.825 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 96.9 mt-30 -61.1 -37.5 82.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.276 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.05 -54.33 38.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.728 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.417 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 83.8 m95 -66.27 -34.6 78.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.618 0.247 . . . . 0.0 110.841 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.12 -37.64 86.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.317 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.85 96.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.486 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.21 -43.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.213 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.21 -36.49 82.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.581 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -69.69 -42.44 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.531 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.97 -41.34 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 131' ' ' VAL . 90.7 t80 -56.9 -53.09 61.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.728 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.37 -50.28 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.364 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -60.92 -40.02 91.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.935 0.398 . . . . 0.0 110.789 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -65.89 -49.75 66.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.613 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 85.5 t -61.95 -47.58 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.482 -175.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.08 -35.66 80.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.729 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.0 m -71.91 -19.41 61.93 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.435 0.636 . . . . 0.0 110.267 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -81.11 -22.2 39.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.454 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 131' ' ' VAL . 24.4 mt -87.08 -69.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.229 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -101.94 106.51 17.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -66.1 116.08 6.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -82.03 55.01 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.039 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -97.95 -20.59 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -75.72 63.23 1.59 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 174.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.0 t60 178.98 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.583 -177.314 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -119.5 126.3 50.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.17 125.19 67.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.3 m -114.18 111.75 22.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.4 m -119.04 135.12 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.265 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' ARG . 12.1 pt-20 -136.92 161.53 35.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 145.64 30.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.812 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -102.38 119.84 39.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.879 0.371 . . . . 0.0 110.46 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 11' ' ' ALA . 34.7 t -107.1 139.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 11.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -103.24 147.96 34.95 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.851 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -65.22 155.38 68.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.939 2.426 . . . . 0.0 112.165 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.58 -30.71 47.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.95 -173.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.29 -39.36 95.96 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.155 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.79 -38.1 29.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.734 0.302 . . . . 0.0 110.345 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.77 -45.32 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.535 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 65.4 t-105 -55.14 -46.67 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.55 -47.1 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.67 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.96 67.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.698 0.285 . . . . 0.0 111.347 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.95 -16.29 36.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.375 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 p -115.41 -16.82 11.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' ILE . 44.1 m -79.1 111.28 18.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 88.6 Cg_exo -49.61 -42.79 41.79 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.352 2.701 . . . . 0.0 113.158 -175.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 46.8 mt-10 -59.32 -46.35 88.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.141 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.05 -37.01 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 22' ' ' THR . 65.3 mt -53.95 -44.02 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 10.2 mtmp? -58.13 -18.39 24.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.88 -28.33 21.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.647 0.261 . . . . 0.0 111.284 -175.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.646 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 53.0 p-90 -117.51 -7.91 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.44 6.24 15.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.961 0.41 . . . . 0.0 111.427 -174.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.73 124.6 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.4 7.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.454 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -124.27 171.29 9.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.035 -175.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 0.58 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.422 0.629 . . . . 0.0 110.624 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.44 -23.02 20.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.293 0.568 . . . . 0.0 110.009 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 62' ' ' MET . 62.9 m95 -110.8 164.26 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.562 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 13.3 p-80 -159.03 145.05 16.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.568 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -81.62 109.79 16.37 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -40.02 21.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.474 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.93 142.31 23.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.824 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -143.82 99.82 3.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.872 0.368 . . . . 0.0 110.701 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -99.89 114.27 27.38 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.822 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 51' ' ' PHE . 84.4 t -121.7 124.18 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -175.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -107.72 96.44 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.8 tp -76.5 99.11 4.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.401 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -167.84 142.34 3.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.348 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.48 112.55 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.09 1.42 38.8 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.882 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -155.26 29.82 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.18 34.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.157 0.479 . . . . 0.0 111.263 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.528 ' HB2' HG22 ' A' ' 43' ' ' VAL . 29.8 p90 -135.43 160.05 39.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.93 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -144.85 112.74 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.535 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -111.34 114.5 27.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.062 0.458 . . . . 0.0 110.307 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.7 97.33 9.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.4 mtt -93.26 114.82 27.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.482 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -122.35 147.73 45.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.746 0.307 . . . . 0.0 110.326 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -68.44 150.85 47.63 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.94 -33.63 72.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.58 0.229 . . . . 0.0 111.555 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -85.5 -11.38 54.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.8 21.23 79.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.946 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -78.22 -18.81 54.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.381 0.61 . . . . 0.0 110.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.516 ' HG3' ' CH2' ' A' ' 36' ' ' TRP . 11.6 tpt -154.78 131.69 10.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.519 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.51 142.84 8.46 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.592 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.04 149.87 34.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -100.44 111.64 23.92 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.537 0.684 . . . . 0.0 109.808 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -78.29 106.07 9.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.2 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.6 127.56 55.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.66 138.48 9.48 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.056 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.3 m -92.34 124.88 36.72 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -71.26 103.86 2.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.428 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 p -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.673 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 26.3 mmtp -143.65 129.4 19.32 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.011 174.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.96 100.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.905 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.584 HG11 ' HD3' ' A' ' 77' ' ' LYS . 39.3 t -113.49 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.54 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 31.1 tt0 -58.94 128.34 36.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.226 -174.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.26 15.12 9.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.366 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HD3' HG11 ' A' ' 74' ' ' VAL . 57.9 tttp -129.79 -64.73 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.905 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 9.8 ptm85 -155.43 144.01 20.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.274 0.559 . . . . 0.0 111.897 -171.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.32 119.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.327 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 40.9 mt-10 -125.59 129.23 49.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.966 0.413 . . . . 0.0 110.216 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -144.3 154.9 43.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.651 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -114.26 140.55 48.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -137.09 111.06 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.223 0.535 . . . . 0.0 109.761 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.96 -112.9 5.04 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.761 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.82 -11.2 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.438 . . . . 0.0 110.43 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 41.5 mtm180 -108.22 158.03 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.047 -174.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.2 t -133.65 156.67 47.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.886 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.66 138.96 54.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.7 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -117.73 110.43 17.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -103.92 115.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.066 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.24 134.48 54.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -94.56 106.09 18.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.9 mt -103.55 134.87 46.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -94.08 117.44 30.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.333 0.587 . . . . 0.0 112.241 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -106.78 154.9 39.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -63.47 -33.44 68.85 Favored 'Trans proline' 0 CA--C 1.521 -0.172 0 C-N-CA 122.202 1.935 . . . . 0.0 112.106 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -98.6 16.06 23.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.824 -176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 147.0 163.05 10.28 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.019 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.01 132.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.926 0.393 . . . . 0.0 110.163 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.7 m -105.06 119.93 40.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.62 106.77 17.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.629 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 22.2 ttt180 -99.77 111.99 24.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.77 107.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.347 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 t -106.06 104.94 14.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -118.11 149.59 40.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.143 0.497 . . . . 0.0 111.096 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.611 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 60.3 t -74.58 136.31 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.54 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -122.89 147.01 47.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.936 0.398 . . . . 0.0 110.982 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.98 134.63 34.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -171.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.53 -34.93 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 111.653 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.06 131.51 33.0 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.665 -171.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -44.69 118.74 1.97 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.778 2.985 . . . . 0.0 113.139 -176.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.88 -30.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.448 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -51.43 -54.1 30.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.973 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.78 -40.58 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.225 -176.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -66.74 -44.12 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.961 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.887 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.2 -35.16 80.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.099 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.86 42.77 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.074 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.413 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.1 m95 -66.72 -35.35 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.193 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -62.06 -43.95 97.72 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.216 -0.193 . . . . 0.0 110.972 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.309 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.44 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.78 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.35 -40.28 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.511 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 22.2 m-80 -66.62 -37.81 85.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 110.6 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 56.1 t30 -69.48 -36.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.4 t80 -58.81 -48.05 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.002 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.29 -48.3 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.824 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 39.8 mmt180 -55.75 -49.1 74.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 0.0 110.305 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -63.94 -49.0 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.978 -175.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 127' ' ' PHE . 61.2 t -64.13 -44.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 52.8 mt-10 -72.69 -18.49 61.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.301 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.9 m -87.72 -5.77 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.016 0.436 . . . . 0.0 110.418 173.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.12 -1.55 31.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.099 0.476 . . . . 0.0 109.864 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 11' ' ' ALA . 79.8 mt -67.23 140.63 57.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.056 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -79.78 -172.48 3.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.262 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -148.35 176.38 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -52.56 118.36 3.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.185 0.516 . . . . 0.0 110.351 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -78.81 82.43 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.552 0.692 . . . . 0.0 110.315 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -153.35 110.08 3.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -101.32 169.66 8.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.266 0.555 . . . . 0.0 111.389 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.131 170.484 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -133.84 158.62 42.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.153 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.52 127.58 75.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.171 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.0 m -106.49 111.36 23.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.72 148.74 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.934 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 11.2 pt-20 -148.41 160.26 43.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.997 0.427 . . . . 0.0 111.597 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.18 142.09 18.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.389 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 34.0 m -97.31 118.48 33.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.913 0.387 . . . . 0.0 111.311 -176.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 128' ' ' LYS . 16.4 t -100.23 143.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.785 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.63 11.67 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 111.748 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -100.28 150.29 36.79 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.731 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 12.8 Cg_exo -68.14 153.84 73.83 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 111.95 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.31 -23.92 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.56 84.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.815 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.548 0.213 . . . . 0.0 110.829 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.95 -42.41 89.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 109.993 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.31 -53.04 61.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 18' ' ' ARG . 18.5 mtp180 -63.7 -44.68 92.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.684 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -91.6 -17.61 25.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 p -110.26 -16.32 13.77 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.8 m -89.88 117.6 68.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 122.308 -0.245 . . . . 0.0 110.878 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.17 -31.5 66.05 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.22 2.613 . . . . 0.0 112.791 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -33.53 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.24 -39.07 10.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.962 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 77.6 mt -51.73 -46.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.424 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -67.46 -8.53 34.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.854 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -91.75 -43.06 9.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.746 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 43.3 p-90 -100.16 -13.9 18.75 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 64.1 t30 -77.09 84.9 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.94 0.4 . . . . 0.0 110.75 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.96 124.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.126 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.25 -28.12 61.96 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 t -133.93 152.72 51.96 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.74 -8.57 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 111.015 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.65 -18.15 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 0.0 109.719 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 56.6 m95 -96.73 161.69 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.309 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.22 157.03 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 25.2 m -86.56 113.95 22.89 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -82.84 -32.2 27.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.029 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.72 135.16 17.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.981 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -150.78 116.19 5.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.996 0.427 . . . . 0.0 111.512 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -118.33 118.1 30.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.365 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 51' ' ' PHE . 59.5 t -118.94 122.7 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 111.088 -176.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.7 101.01 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.96 109.78 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.809 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -177.81 166.98 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.03 113.79 11.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.67 -4.81 50.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.68 162.29 35.86 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.66 160.27 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.053 0.454 . . . . 0.0 111.127 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 43' ' ' VAL . 53.1 p90 -129.4 141.74 50.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.941 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 16.3 m -119.82 115.0 22.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.897 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 p -128.09 110.46 12.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.849 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 12.3 ttp180 -96.21 110.53 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.566 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 38.6 ttm -99.46 119.33 37.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.655 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 66.5 mt-10 -125.38 158.53 34.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.98 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.73 -21.45 65.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.35 -14.7 42.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.393 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.71 -2.83 73.69 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.058 -0.591 . . . . 0.0 113.188 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -66.03 -27.47 68.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.8 mtm -147.25 161.98 39.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.355 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 163.91 140.46 2.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.561 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -150.89 156.04 40.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.7 0.25 . . . . 0.0 110.598 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.7 p-10 -101.19 120.11 39.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.597 0.713 . . . . 0.0 110.447 176.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -107.38 118.62 37.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.31 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.53 154.23 21.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.634 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -118.34 125.81 50.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.906 0.353 . . . . 0.0 110.78 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -73.24 119.07 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.114 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.5 p -92.09 -36.0 13.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.726 0.298 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -147.49 128.04 14.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.976 0.417 . . . . 0.0 109.933 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.9 t -118.9 133.27 66.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 77' ' ' LYS . 43.8 t -130.66 112.96 23.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.21 132.31 51.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 0.0 111.066 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 67.27 18.83 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.485 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 mmtt -134.35 -70.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 0.0 111.974 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.716 HH22 ' HD2' ' A' ' 89' ' ' LYS . 10.2 ptm85 -154.4 145.23 22.52 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.0 112.117 -169.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' HB ' ' HB ' ' A' ' 90' ' ' VAL . 54.6 mt -119.94 111.13 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.254 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -111.3 112.54 24.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -137.25 151.66 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 111.117 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.29 144.3 44.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.16 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -129.73 112.98 14.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.398 0.618 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 -103.43 1.58 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.19 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -122.98 -1.95 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.763 0.316 . . . . 0.0 110.705 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -122.5 139.24 54.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.387 . . . . 0.0 111.046 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t -106.75 163.62 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.488 -174.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.72 145.56 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.946 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.716 ' HD2' HH22 ' A' ' 78' ' ' ARG . 39.7 mtmt -113.6 134.98 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 79' ' ' ILE . 61.6 t -112.89 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 168.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.99 133.3 53.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.013 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -102.83 104.51 14.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.029 0.443 . . . . 0.0 110.346 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 76.0 mt -90.45 110.89 21.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.305 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.97 111.59 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.26 159.56 29.68 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.501 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -21.42 67.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.257 1.971 . . . . 0.0 112.348 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -101.17 -1.23 34.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.605 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.19 -164.54 28.96 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.064 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.8 119.45 58.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 48.7 m -89.03 111.57 22.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.071 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -83.12 106.62 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.883 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -101.59 113.99 27.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 68.3 t -109.38 112.79 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.081 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t -110.12 106.89 16.53 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -119.74 142.82 48.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -174.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.59 122.19 24.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.65 148.16 24.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.867 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.28 118.69 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.471 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.4 p -71.99 -6.04 39.28 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.086 0.469 . . . . 0.0 111.268 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.55 2.97 48.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.663 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -129.13 150.96 76.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.145 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.18 140.36 88.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.712 2.274 . . . . 0.0 112.756 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.61 -42.09 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.692 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -47.28 -55.39 8.79 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.704 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.525 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.84 -38.57 83.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.5 -53.04 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.55 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.19 -33.88 75.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.884 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.467 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.73 -56.69 21.43 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.188 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -67.87 -34.42 76.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.646 0.26 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.55 -42.21 99.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.272 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.16 91.82 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 119' ' ' GLY . 82.8 mt -60.5 -43.82 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.394 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 103' ' ' VAL . 60.9 mt -64.28 -39.31 93.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.25 -37.47 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.09 -34.92 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 131' ' ' VAL . 76.2 t80 -58.58 -56.59 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 172.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 9' ' ' VAL . 79.4 tttt -53.21 -46.85 69.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -50.41 -54.59 20.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.085 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 80.3 t60 -68.98 -39.15 79.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 -176.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 127' ' ' PHE . 95.4 t -68.18 -41.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' HE3' ' A' ' 128' ' ' LYS . 77.9 mt-10 -69.39 -33.88 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.659 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.0 p -79.52 -2.24 41.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.158 0.504 . . . . 0.0 110.455 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 18.5 t-80 -93.43 -7.8 43.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.461 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.6 mt -90.73 -71.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.711 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 137' ' ' HIS . 36.9 mt-10 -125.44 -148.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.657 -176.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 136' ' ' GLU . 77.1 t60 82.55 -14.31 0.77 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.021 0.826 . . . . 0.0 110.664 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 39.7 m80 63.12 -92.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.594 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -177.69 164.45 1.99 Allowed 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.291 0.369 . . . . 0.0 110.393 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -64.99 138.65 58.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.523 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -107.7 -66.33 1.04 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.534 172.366 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -118.74 117.93 30.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HG13 ' A' ' 113' ' ' VAL . 63.5 mt -88.85 130.16 38.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 m -107.7 110.03 21.77 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 121.28 0.562 . . . . 0.0 110.12 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.477 HG23 ' HB ' ' A' ' 103' ' ' VAL . 14.8 m -114.39 135.25 54.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 176.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.9 pt-20 -142.15 150.34 40.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 14.6 t -150.77 133.95 16.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.28 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 29.1 m -96.35 102.89 14.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.168 0.508 . . . . 0.0 110.611 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.19 141.0 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.426 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.37 12.15 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 111.915 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.19 148.43 35.92 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.524 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.18 155.62 64.06 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.86 2.374 . . . . 0.0 112.079 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.44 -30.23 47.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.668 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -61.92 -32.04 80.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.404 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -85.13 -39.69 17.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.739 0.304 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.467 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 69.8 mtt-85 -73.52 -40.76 63.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.209 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.53 70.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.094 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -82.41 -19.06 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 p -110.91 2.01 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.4 m -99.37 105.84 35.54 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.7 Cg_endo -52.64 -36.2 70.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.651 2.9 . . . . 0.0 113.074 -174.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 31.1 mt-10 -62.18 -38.94 90.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -82.55 -33.58 28.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.486 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 22' ' ' THR . 68.1 mt -55.24 -41.22 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.522 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 52.3 mtmt -57.47 -19.82 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 48.4 p-90 -111.04 -19.08 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.994 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -82.62 90.36 6.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.053 0.454 . . . . 0.0 110.467 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.47 105.32 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.08 -18.62 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.862 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -136.87 158.83 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.299 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.93 -31.3 72.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 19.6 m-20 -81.04 -16.57 52.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.425 -175.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' HE3' ' HG3' ' A' ' 55' ' ' MET . 80.3 m95 -114.05 146.79 39.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.82 -173.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -162.96 151.14 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.543 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 26.2 m -69.72 114.44 7.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.551 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -89.66 -42.64 11.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.064 0.459 . . . . 0.0 110.588 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.92 120.42 33.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.294 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.74 112.98 14.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -119.97 113.16 20.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 51' ' ' PHE . 90.2 t -120.48 116.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.868 -175.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -98.01 98.98 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -80.9 99.35 8.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.289 0.566 . . . . 0.0 110.995 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -172.36 157.68 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.962 . . . . 0.0 108.877 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.03 115.73 13.84 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.6 41.27 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.321 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.54 178.23 29.95 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.586 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.87 147.48 37.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.773 0.32 . . . . 0.0 110.784 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 31.8 p90 -127.44 150.15 49.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.165 178.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.5 t -135.36 126.91 28.81 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 p -128.59 106.0 8.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.907 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 35.6 ttp180 -83.1 114.22 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.42 0.629 . . . . 0.0 111.118 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.462 ' HG3' ' HE3' ' A' ' 36' ' ' TRP . 44.7 tpp -95.49 114.87 26.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.922 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HG3' ' HG2' ' A' ' 54' ' ' ARG . 48.4 mt-10 -123.48 150.62 43.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.934 0.397 . . . . 0.0 110.994 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.42 119.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.854 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.7 ptpt -62.73 -37.15 85.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -95.53 -14.31 23.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.052 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.5 -151.9 9.4 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 120.009 -1.091 . . . . 0.0 112.793 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m -116.6 -11.39 11.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.63 -0.785 . . . . 0.0 111.381 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.5 mtp -75.29 140.37 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.629 -173.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . -164.73 138.41 5.24 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.76 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.45 143.67 34.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.688 0.28 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.8 p-10 -92.08 123.51 35.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.216 0.532 . . . . 0.0 110.503 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -93.89 106.2 18.18 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -114.49 141.99 46.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.2 152.16 24.31 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.731 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.2 m -112.94 126.72 55.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.633 0.254 . . . . 0.0 110.458 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -76.25 113.95 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.197 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -88.23 -33.09 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -147.14 123.98 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.478 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.82 115.35 49.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.174 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB3' ' A' ' 77' ' ' LYS . 37.3 t -117.48 112.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.42 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.111 -172.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.24 30.55 1.48 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.878 1.271 . . . . 0.0 113.092 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.6 tttt -137.34 -66.87 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.439 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -150.58 134.51 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.272 0.558 . . . . 0.0 112.035 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.2 mt -114.72 113.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.451 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -116.43 124.28 49.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.076 0.465 . . . . 0.0 110.405 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -143.63 158.84 43.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.841 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.44 141.52 48.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.265 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.44 107.6 7.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.92 -121.08 20.88 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.132 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.56 -1.76 56.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.983 0.42 . . . . 0.0 111.238 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -120.44 171.94 8.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.552 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 t -147.13 159.33 43.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.46 137.37 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 111.453 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -113.86 112.13 22.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.859 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 103' ' ' VAL . 41.8 t -109.06 107.84 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.309 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -114.5 145.24 42.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.92 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -106.65 104.42 14.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.013 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.7 mt -96.76 106.56 18.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.174 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.55 108.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.286 0.565 . . . . 0.0 110.575 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.45 165.56 12.74 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.962 -173.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 11.1 Cg_endo -55.15 -28.62 62.0 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.776 2.318 . . . . 0.0 113.394 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HB2' HG21 ' A' ' 8' ' ' THR . 85.4 mm-40 -91.7 -10.88 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.62 0.248 . . . . 0.0 111.484 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.24 -111.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.547 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -136.82 121.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.973 0.416 . . . . 0.0 110.982 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.5 m -86.6 109.98 19.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 176.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.49 105.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -102.55 107.92 19.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.365 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 5' ' ' VAL . 44.9 t -101.72 107.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.962 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m -103.52 104.28 14.33 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -122.87 145.51 48.39 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.046 0.45 . . . . 0.0 111.193 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.0 t -76.68 129.13 37.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.798 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.53 147.1 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 10.1 tp10 -73.78 139.62 45.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.509 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 p -87.42 -13.38 43.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.425 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 43.3 mt-10 -99.16 8.2 45.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.004 0.431 . . . . 0.0 111.201 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.67 153.77 54.5 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.763 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.69 102.61 0.11 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.777 2.318 . . . . 0.0 112.317 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 3' ' ' ILE . 67.3 t -65.32 -40.92 90.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.364 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -40.62 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.46 -36.01 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.19 0.519 . . . . 0.0 110.36 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -72.19 -39.88 68.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.694 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.01 -47.44 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.905 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -64.21 -45.38 88.53 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.092 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.9 -52.32 52.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.193 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.78 -34.43 78.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 0.211 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.11 -40.06 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.985 0.421 . . . . 0.0 110.154 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.4 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.41 . . . . 0.0 110.19 175.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 119' ' ' GLY . 81.9 mt -63.69 -44.11 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.627 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 5' ' ' VAL . 55.2 mt -63.88 -43.74 95.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.594 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 87.5 m-20 -66.84 -33.59 75.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.668 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 64.0 t30 -69.62 -41.29 75.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.31 0.576 . . . . 0.0 109.453 176.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 131' ' ' VAL . 78.6 t80 -58.45 -48.63 80.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.06 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 8' ' ' THR . 62.2 tttm -51.6 -57.09 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.659 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 57.9 mtt-85 -58.42 -43.07 88.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.111 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.88 -42.49 90.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.815 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 90.5 t -68.47 -39.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.1 -17.73 62.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.849 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -77.56 -13.18 59.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 172.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 64.5 m80 -75.87 -19.83 58.56 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 171.361 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 11' ' ' ALA . 49.4 mt -95.15 152.25 18.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.032 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 53.34 96.68 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.107 0.88 . . . . 0.0 111.946 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -71.68 91.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 71.8 t60 60.14 84.14 0.13 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 123.917 0.76 . . . . 0.0 110.648 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -80.92 64.69 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 111.088 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 62.18 -90.63 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.987 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -160.97 104.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 21.7 t60 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.435 -176.332 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.693 0.282 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -119.27 116.31 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD11 HG13 ' A' ' 113' ' ' VAL . 64.9 mt -93.74 134.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m -122.41 113.44 19.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.002 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.6 m -113.97 151.33 15.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.542 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 14.2 pt-20 -154.65 160.37 41.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.429 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -157.02 148.56 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.74 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -99.51 105.09 16.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 128' ' ' LYS . 12.1 t -88.01 130.83 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.879 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 12.02 4.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.045 0.45 . . . . 0.0 111.75 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -101.77 154.28 37.4 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.56 146.11 92.43 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.758 2.305 . . . . 0.0 112.045 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.22 -29.23 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.143 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.44 98.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.318 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -77.04 -37.56 54.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.73 -43.02 94.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.249 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 55.0 t-105 -57.43 -49.72 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.015 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -72.02 -35.15 69.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.825 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.083 0.468 . . . . 0.0 110.804 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -82.71 -11.77 58.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.868 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 p -117.41 -0.42 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' ILE . 88.0 m -96.01 110.3 51.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.62 -43.66 49.22 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.534 2.823 . . . . 0.0 113.554 -173.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 8.7 pt-20 -71.7 -16.01 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.641 -176.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -95.38 -41.54 8.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 84.9 mt -50.93 -48.45 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.402 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.7 pttt -65.63 -6.99 12.81 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.14 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -90.68 -25.5 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 31.7 p-90 -117.28 -11.95 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -78.88 84.36 4.93 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.955 0.407 . . . . 0.0 110.347 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.88 112.62 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.931 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.25 13.0 26.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -158.96 150.63 20.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.34 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.16 -19.38 63.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.018 0.437 . . . . 0.0 109.967 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.35 -16.42 37.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.319 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.642 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 61.5 m95 -107.42 149.9 27.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -158.91 148.03 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.219 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.4 m -83.7 113.68 21.05 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -39.27 19.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.287 -175.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.56 146.97 35.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.396 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.23 130.82 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 m -141.76 125.8 17.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.6 t -132.81 125.02 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.654 0.264 . . . . 0.0 111.453 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -105.37 98.35 8.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -82.35 106.21 14.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -173.31 164.06 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 81.5 mt-10 -70.91 105.55 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 13.85 30.85 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.436 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.19 179.07 42.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.851 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.02 160.34 40.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' HB2' HG22 ' A' ' 43' ' ' VAL . 42.0 p90 -138.46 147.7 43.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.133 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 p -134.25 124.69 26.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.202 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -128.56 133.57 48.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -102.36 93.64 5.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.903 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.642 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 35.5 ttp -101.67 118.66 37.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -125.26 159.3 31.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.594 -174.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' H ' ' A' ' 62' ' ' MET . . . -95.51 136.32 36.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -64.26 -43.69 94.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.849 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.17 -20.22 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 110.797 -177.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 19.89 25.34 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.64 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.1 t -75.07 -49.28 20.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.872 0.368 . . . . 0.0 110.509 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.404 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 82.7 mtp -138.82 167.43 22.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.214 0.53 . . . . 0.0 111.362 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.22 137.53 2.26 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -155.1 166.3 34.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.598 0.699 . . . . 0.0 112.168 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 102.94 14.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.832 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.87 105.34 17.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.56 146.0 47.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.698 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.87 170.13 33.1 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.865 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.0 m -117.2 132.8 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -80.43 110.72 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -84.04 -32.66 24.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 18.1 tptm -147.81 127.05 12.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 99.0 t -135.38 102.65 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.687 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -113.43 119.61 61.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.241 0.543 . . . . 0.0 109.641 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 44.8 tt0 -66.22 131.77 46.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.514 -171.31 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 68.53 28.0 6.03 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.198 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.621 ' HB2' HG13 ' A' ' 74' ' ' VAL . 35.3 mmtm -138.45 -76.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.627 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.583 ' HD2' ' HB3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -157.43 150.88 23.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 111.798 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 89' ' ' LYS . 51.0 mt -113.51 116.06 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.912 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 33.0 tt0 -110.66 123.49 50.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -147.7 160.13 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 111.287 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.359 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -128.18 118.93 24.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.64 -108.6 2.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.765 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.25 0.14 14.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.839 0.352 . . . . 0.0 110.342 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 20.8 mmt180 -118.94 135.7 54.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.387 . . . . 0.0 111.206 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.0 t -112.39 148.99 33.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.842 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.92 143.51 34.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 29.0 ttpt -127.05 112.4 15.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.327 0.584 . . . . 0.0 110.169 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -88.19 113.62 25.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.502 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -106.36 134.66 49.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.01 0.433 . . . . 0.0 110.602 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.75 108.65 20.27 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.3 mt -90.37 115.4 27.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.273 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.23 106.09 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.266 0.555 . . . . 0.0 111.058 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.37 158.16 33.28 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.373 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.4 Cg_endo -59.52 -31.04 93.93 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.454 2.102 . . . . 0.0 113.079 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -96.66 -23.89 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.97 -168.96 35.63 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.672 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.28 119.65 60.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.017 0.437 . . . . 0.0 110.517 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 28.8 m -84.96 110.37 18.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.535 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.3 t -85.19 109.49 18.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -112.37 123.91 51.32 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 90' ' ' VAL . 45.6 t -112.27 107.72 23.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -103.44 113.83 27.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -130.44 149.85 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.879 0.371 . . . . 0.0 111.173 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.35 121.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -103.09 146.92 27.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.86 -171.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.07 131.82 43.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.419 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.3 p -85.68 -11.26 54.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.265 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -82.75 -32.96 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.056 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.32 151.1 41.19 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.506 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 42.8 Cg_exo -57.22 129.25 33.21 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.794 2.329 . . . . 0.0 112.384 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 3' ' ' ILE . 65.6 t -64.76 -29.95 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.99 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.73 -56.67 12.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.434 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -32.79 73.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.196 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.0 mt-30 -68.11 -47.81 67.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.286 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -71.95 -53.11 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -63.78 -37.25 86.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.969 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.481 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.78 -58.51 13.44 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.142 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.455 ' HB3' HG21 ' A' ' 5' ' ' VAL . 41.8 m95 -63.3 -36.14 82.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.461 0.172 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -63.43 -43.74 96.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.62 96.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' GLY . 77.6 mt -62.16 -41.72 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.303 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.1 -36.87 82.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.136 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.81 -41.25 83.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -62.71 -41.16 99.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 131' ' ' VAL . 63.3 t80 -58.77 -56.04 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.654 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 9' ' ' VAL . 59.1 pttt -61.27 -42.67 99.04 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.836 -176.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 129' ' ' ARG . 48.3 mtp85 -62.67 -38.5 90.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 14.4 t60 -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 127' ' ' PHE . 39.3 t -78.49 -44.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.58 -45.2 85.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.924 0.393 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 m -72.23 -17.38 61.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 11.8 t-160 -88.54 -11.24 46.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.362 -177.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 11' ' ' ALA . 91.2 mt -70.59 -73.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.72 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.4 78.74 6.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.409 0.623 . . . . 0.0 110.379 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -100.12 -45.72 5.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.716 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -157.54 23.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -136.67 99.32 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.183 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -126.82 88.36 2.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.375 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -125.15 143.05 51.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.158 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 17.6 p80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.208 -178.147 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.05 122.61 27.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.442 HD11 HG13 ' A' ' 113' ' ' VAL . 62.9 mt -112.09 130.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.821 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.6 m -107.73 112.82 25.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.483 HG23 ' HB ' ' A' ' 103' ' ' VAL . 16.0 m -113.85 137.7 46.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.34 145.86 34.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.203 0.525 . . . . 0.0 111.989 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -144.76 130.17 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.135 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 89.0 m -101.68 111.05 23.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.75 145.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.821 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.23 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.904 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -99.68 152.62 37.87 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.757 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.4 Cg_exo -69.66 156.0 64.77 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.504 2.136 . . . . 0.0 111.297 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' OD1' ' A' ' 76' ' ' ASN . 9.7 p -59.82 -28.17 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.979 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -60.06 -36.71 91.24 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.37 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.6 mttm -84.8 -41.19 16.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.54 -45.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.284 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.4 t-105 -56.26 -49.52 73.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 77.8 mtt-85 -67.6 -39.41 84.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 -173.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.45 -32.55 70.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 0.0 111.374 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -81.54 -15.75 53.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.19 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.429 ' HB ' HD22 ' A' ' 45' ' ' LEU . 23.1 p -108.36 -31.17 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' HG13 ' A' ' 26' ' ' ILE . 30.0 m -76.5 112.18 20.07 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 16.4 Cg_endo -57.7 -24.66 64.28 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.121 2.548 . . . . 0.0 112.585 -176.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 8.0 tp10 -66.11 -37.2 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.297 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.09 -33.59 18.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.882 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 68.4 mt -52.39 -43.93 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.679 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 33.8 mtmm -64.41 -8.07 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -91.22 -18.41 24.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.902 -0.135 . . . . 0.0 111.209 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 50.0 p-90 -132.22 -3.5 3.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.76 80.77 2.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 111.05 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -169.7 132.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.081 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.19 -23.55 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 109.701 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -156.25 158.18 37.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.088 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -69.36 -4.42 18.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.3 -11.78 59.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.844 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -106.45 148.18 28.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.174 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -137.31 139.1 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -38.32 21.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 -175.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.54 128.92 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.705 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.4 115.28 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.6 m -122.85 117.22 25.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.914 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.32 113.44 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.75 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -101.42 103.3 14.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 21' ' ' THR . 55.8 tp -80.75 100.3 8.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.448 -174.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -168.32 162.67 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.34 100.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.34 15.19 20.14 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.18 144.25 17.03 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.746 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.43 151.88 19.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.187 0.518 . . . . 0.0 111.039 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -135.24 144.62 46.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.308 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 t -146.88 121.47 9.77 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 112.06 14.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.669 HH11 ' HB2' ' A' ' 65' ' ' ASP . 19.8 mmm180 -82.79 102.65 11.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.256 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 86.3 mtp -102.3 112.57 25.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -124.52 151.94 44.04 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.1 142.49 34.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.26 -19.69 63.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.48 -13.96 61.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.476 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.46 -11.31 66.25 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 113.713 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -81.46 -63.89 1.3 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.031 0.416 . . . . 0.0 111.547 -176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mmm -82.57 148.24 28.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.45 138.19 3.77 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.003 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.14 164.27 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 0.0 111.057 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.669 ' HB2' HH11 ' A' ' 54' ' ' ARG . 18.1 t70 -123.95 123.56 40.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.132 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -97.29 106.29 18.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.88 128.7 49.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.017 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.24 -172.89 29.19 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.098 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.8 m -129.71 134.85 47.87 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 86.0 m-85 -73.19 111.95 8.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 p -84.35 -34.04 23.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.858 ' HB2' ' HB3' ' A' ' 80' ' ' GLU . 31.4 mmtp -137.8 138.09 38.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.731 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.04 100.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.053 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.455 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 24.3 t -104.91 100.46 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.7 tt0 -55.24 123.71 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.052 -173.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' HG13 ' A' ' 13' ' ' VAL . 48.8 m-80 67.49 22.96 9.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.269 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 21.6 ttmm -139.62 -61.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.083 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 13.0 ptp180 -152.46 151.29 30.58 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.907 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.3 mt -124.35 118.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.454 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.858 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 20.2 tt0 -115.35 122.34 45.59 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.488 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 39.2 p90 -139.85 150.76 45.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -117.98 124.61 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.92 177.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -119.45 123.64 44.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.241 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -103.83 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.627 -0.796 . . . . 0.0 111.309 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.37 -10.92 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 108' ' ' GLU . 33.3 mtm180 -109.43 135.15 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.043 -172.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 11.7 t -108.46 153.18 23.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -132.03 139.87 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -117.08 110.98 18.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.988 0.423 . . . . 0.0 110.404 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 103' ' ' VAL . 60.7 t -102.31 117.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.667 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.73 134.58 54.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 -177.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -99.17 104.46 16.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.753 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 64.2 mt -88.94 105.44 17.77 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.32 106.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.285 0.564 . . . . 0.0 110.376 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.76 165.47 12.71 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.067 -175.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.4 -42.9 44.47 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 111.891 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -90.47 15.93 9.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.51 -131.06 5.62 Favored Glycine 0 C--O 1.226 -0.377 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.864 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -132.87 120.02 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.47 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 58.8 m -89.39 105.76 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.086 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.95 105.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.683 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -105.51 112.95 26.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.326 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 90' ' ' VAL . 46.4 t -102.76 109.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.165 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.2 t -107.89 107.2 17.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.28 150.99 41.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.82 106.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.446 0.641 . . . . 0.0 109.864 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.72 146.98 23.33 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.406 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 37.4 tt0 -84.64 117.25 23.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.2 t -72.52 -2.49 19.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.531 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 68.1 mm-40 -69.63 -38.85 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.612 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 51.0 m-85 -80.11 161.71 64.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.46 110.6 0.63 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.247 1.964 . . . . 0.0 111.304 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 3' ' ' ILE . 57.6 t -61.09 -45.62 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.903 -173.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.44 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -175.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -69.89 -40.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.298 -177.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.612 ' NE2' ' HB2' ' A' ' 111' ' ' TYR . 54.6 mt-30 -63.83 -48.71 75.7 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.779 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -57.54 -44.95 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.551 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.52 -46.46 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.501 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.41 -49.27 80.41 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.453 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.453 ' HB3' HG21 ' A' ' 5' ' ' VAL . 69.2 m95 -63.88 -43.16 96.87 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.12 -36.25 83.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.298 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.24 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.623 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.5 mt -61.84 -41.53 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.38 177.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -34.26 77.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.464 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -73.95 -40.13 63.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.761 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.68 -41.37 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.478 . . . . 0.0 109.793 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.6 t80 -59.78 -49.26 78.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.391 174.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.33 -51.87 65.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -54.33 -48.08 71.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.445 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.77 -43.96 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.412 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.8 t -73.18 -49.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.427 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.24 -35.99 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.291 . . . . 0.0 111.503 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -73.51 -15.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.245 0.545 . . . . 0.0 110.022 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -94.94 -3.87 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.76 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 11' ' ' ALA . 79.9 mt -89.36 -70.77 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.523 175.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -125.62 105.36 8.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.024 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.3 63.22 0.05 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.806 175.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 59.91 44.2 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.913 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -89.43 19.81 4.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.685 0.755 . . . . 0.0 109.366 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -154.22 173.23 16.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.9 m170 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.647 175.685 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -134.13 114.65 13.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.796 0.332 . . . . 0.0 110.637 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 117' ' ' GLN . 66.1 mt -92.98 123.06 44.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.3 m -103.65 111.3 23.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.382 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.77 161.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.749 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.5 pt-20 -148.42 157.99 43.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.922 0.391 . . . . 0.0 111.832 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' A' ' 124' ' ' LEU . 8.8 t -149.87 131.88 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.253 173.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -98.86 105.99 18.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.682 0.277 . . . . 0.0 110.267 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 11' ' ' ALA . 17.8 t -91.33 135.56 26.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.172 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 12.09 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.118 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -108.73 153.51 42.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.65 154.4 55.01 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.53 2.153 . . . . 0.0 111.857 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.46 -29.67 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.205 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -43.92 98.67 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.2 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.86 -44.18 73.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.289 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.91 -43.6 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.601 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 48.6 t-105 -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.962 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.7 mtp180 -67.95 -44.95 75.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.94 68.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.071 0.462 . . . . 0.0 111.248 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -86.96 -18.5 30.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.013 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -114.2 1.79 14.64 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 36.0 m -95.97 113.7 62.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.635 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 72.2 Cg_exo -50.39 -40.19 53.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.615 2.876 . . . . 0.0 113.657 -175.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.063 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.8 -44.66 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.915 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.545 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 77.7 mt -52.2 -47.15 44.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.32 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -57.84 -20.93 39.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -100.08 -31.7 11.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.294 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.545 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 19.4 p-90 -97.85 -14.5 20.69 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.629 -0.829 . . . . 0.0 112.445 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.93 78.01 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.474 0.654 . . . . 0.0 109.551 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.92 152.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.632 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.26 49.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.995 0.426 . . . . 0.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -173.7 165.66 4.49 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.67 -5.21 27.92 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.448 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.42 -12.29 61.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.595 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -120.7 161.82 20.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -152.28 147.7 26.67 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.528 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.547 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 84.9 m -99.57 110.78 23.2 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 p -84.04 -42.36 16.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -173.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.25 120.86 29.65 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -139.1 99.3 3.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 33.2 m -104.32 116.13 31.61 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.866 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.58 110.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.36 92.13 7.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -79.94 95.09 6.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.383 -172.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -169.57 165.46 10.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.932 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.1 115.47 11.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.48 11.56 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -170.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.57 147.62 16.4 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.12 38.33 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' THR . 45.6 p90 -126.18 144.23 50.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 26.5 m -129.95 122.58 28.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -128.59 112.37 14.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.997 0.427 . . . . 0.0 109.971 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -100.33 105.54 17.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.229 0.537 . . . . 0.0 110.667 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 49.0 ttm -93.17 121.34 34.43 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.295 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 55.9 mt-10 -116.65 154.91 29.72 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 62' ' ' MET . . . -78.26 135.24 37.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 169.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -67.52 -17.06 64.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.172 0.51 . . . . 0.0 110.237 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.29 -22.72 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.454 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -21.51 44.06 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.077 -0.583 . . . . 0.0 113.164 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -74.44 -14.87 60.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -174.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 56.7 mtt -128.54 146.56 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -179.68 140.82 4.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.11 -0.566 . . . . 0.0 111.874 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' MET . 13.6 p90 -151.94 151.93 31.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.39 116.26 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.288 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.96 113.24 26.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.087 0.47 . . . . 0.0 110.75 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.23 132.44 54.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.982 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.06 168.09 24.69 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.154 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -128.38 133.5 48.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.777 0.322 . . . . 0.0 110.361 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -76.51 113.66 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.145 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 p -83.66 -36.23 23.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.012 0.434 . . . . 0.0 110.357 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 33.0 mmtt -141.89 119.03 11.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.15 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.31 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.917 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.532 HG12 ' HB3' ' A' ' 77' ' ' LYS . 18.2 t -108.96 96.53 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.6 tt0 -57.37 132.88 54.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.555 -173.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.3 t30 70.67 9.14 6.8 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.257 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.532 ' HB3' HG12 ' A' ' 74' ' ' VAL . 60.6 tttp -131.48 -67.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -158.01 161.08 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 0.0 112.103 -173.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.0 mt -132.94 127.62 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.779 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 41.7 mt-10 -113.83 130.59 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -152.67 151.59 30.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.528 . . . . 0.0 111.239 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.11 125.21 52.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.43 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -122.57 124.03 42.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.131 0.491 . . . . 0.0 110.9 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.62 -103.64 0.72 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.643 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -114.86 -4.23 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . 78.8 mtm-85 -137.36 161.36 36.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.032 -175.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.3 t -114.29 161.51 17.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -142.7 138.28 30.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.353 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -118.24 114.18 22.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.581 HG22 HG13 ' A' ' 103' ' ' VAL . 52.3 t -106.19 126.33 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 134.48 53.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.773 0.321 . . . . 0.0 111.059 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.24 107.57 19.43 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.17 110.33 22.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.689 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' A' ' 99' ' ' VAL . 33.1 mt-10 -74.37 117.07 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.559 0.695 . . . . 0.0 111.117 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.97 164.9 13.84 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.019 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.74 -11.26 25.75 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.537 2.158 . . . . 0.0 112.507 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -106.06 -2.42 22.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.646 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.08 -174.4 21.71 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.821 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.601 HG22 ' HG2' ' A' ' 94' ' ' GLU . 48.9 t -94.54 118.77 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.068 0.461 . . . . 0.0 110.844 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -93.88 108.6 20.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.211 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.5 t -87.13 109.05 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.874 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -102.14 112.77 25.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 90' ' ' VAL . 51.1 t -104.53 107.57 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.971 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -106.65 104.55 14.26 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 46.8 p90 -116.47 143.52 45.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -174.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 86' ' ' ARG . 95.1 t -72.12 117.85 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -108.75 146.94 32.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.236 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.0 134.23 52.77 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.664 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.2 p -73.27 -11.27 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.031 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -62.24 -21.21 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.137 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -125.74 155.08 73.11 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.216 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.46 ' HG2' ' HG2' ' A' ' 115' ' ' GLN . 8.7 Cg_endo -52.75 115.31 2.16 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.41 2.073 . . . . 0.0 112.219 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 3' ' ' ILE . 97.3 t -61.26 -40.05 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.057 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.81 -48.93 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.337 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' A' ' 112' ' ' PRO . 4.8 pp0? -73.8 -22.47 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.013 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -72.92 -47.29 46.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' HD13 ' A' ' 3' ' ' ILE . 35.6 tt0 -68.36 -54.97 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.342 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -61.76 -33.21 73.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.032 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.31 -57.0 22.04 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.17 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 66.9 m95 -70.1 -33.59 72.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.367 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -61.74 -46.44 89.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.561 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.1 mt -62.35 -41.94 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.955 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 77.8 mt -67.05 -36.72 82.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 111.266 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.44 -38.35 74.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.459 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' OD1' ' HA ' ' A' ' 29' ' ' TRP . 2.1 t-20 -68.71 -39.15 80.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.917 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.52 -43.45 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.388 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -51.85 -55.37 20.42 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.146 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -61.43 -38.27 86.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.854 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -62.3 -39.51 93.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.186 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 52.2 t -82.3 -53.13 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.484 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.49 -41.67 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -171.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -6.38 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.297 0.57 . . . . 0.0 110.51 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -96.49 -3.98 42.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.652 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 11' ' ' ALA . 94.3 mt -85.69 1.25 50.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.034 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.07 -166.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.773 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -71.51 116.29 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.482 -173.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -100.26 -61.48 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.102 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.5 m170 48.31 -98.81 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.819 0.699 . . . . 0.0 111.606 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -143.04 21.45 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.079 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -74.26 151.39 39.9 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.787 -175.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.197 -0.906 . . . . 0.0 109.321 177.784 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.95 144.38 42.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.1 mt -117.99 124.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 m -111.93 111.08 21.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.976 0.417 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.63 140.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.226 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 168.12 11.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.514 0.674 . . . . 0.0 111.506 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.647 HG23 ' HD3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -165.03 116.75 1.17 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.789 -179.123 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.5 m -98.57 108.99 21.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 128' ' ' LYS . 15.1 t -90.95 138.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.642 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 11.99 1.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.17 149.36 37.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.561 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.6 155.06 55.57 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.581 2.187 . . . . 0.0 111.78 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 ' HA ' HG21 ' A' ' 99' ' ' VAL . 7.1 p -62.1 -26.75 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.893 -172.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.49 -42.99 99.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.153 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.0 -41.65 70.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 110.417 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.83 -47.51 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.721 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -57.2 -48.92 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -64.14 -46.83 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.322 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.24 -17.89 62.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -92.3 -25.29 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.78 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -100.44 -20.87 15.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.7 m -85.02 114.72 57.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.9 Cg_endo -59.39 -24.21 73.63 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.078 2.519 . . . . 0.0 112.49 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.84 -44.21 90.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.95 -35.21 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.57 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 64.2 mt -54.23 -44.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.294 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -61.59 -14.56 31.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.755 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -95.54 -41.29 9.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 45.6 p-90 -102.7 -12.26 17.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -83.35 83.09 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.843 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.12 108.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.317 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.0 -42.9 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 110.312 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -98.14 145.86 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.173 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.54 -26.9 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' OD2' ' HB1' ' A' ' 57' ' ' ALA . 33.4 t70 -83.16 -20.64 34.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.256 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -97.22 151.13 20.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.743 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.26 161.08 33.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.244 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 41' ' ' ALA . 13.7 m -85.67 110.35 19.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.133 0.492 . . . . 0.0 109.752 174.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -83.11 -35.11 25.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.642 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.98 130.02 19.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.198 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 38' ' ' THR . . . -134.55 110.13 9.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.906 0.384 . . . . 0.0 111.117 -175.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -116.49 113.56 22.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.824 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.37 107.66 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.953 0.406 . . . . 0.0 110.573 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 20.9 t70 -94.98 90.59 6.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.37 0.605 . . . . 0.0 109.725 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -78.42 98.41 6.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.575 -173.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -170.4 156.44 5.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 112.62 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.02 -6.9 40.62 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -172.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.47 -178.61 51.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.102 -0.571 . . . . 0.0 111.858 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' ASP . . . -142.53 148.63 37.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.1 0.476 . . . . 0.0 111.486 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -113.41 155.18 25.71 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 m -147.15 113.58 5.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.916 0.389 . . . . 0.0 110.31 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -121.74 115.29 22.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.467 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 17.9 tpp180 -82.74 112.84 19.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.9 mmm -104.14 114.64 29.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 62.6 mt-10 -124.8 159.89 29.97 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 111.301 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' OD2' ' A' ' 35' ' ' ASP . . . -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.617 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -70.12 -48.5 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.47 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.72 -0.53 18.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.531 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.9 -148.79 14.26 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.15 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -117.19 -30.56 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.259 -0.47 . . . . 0.0 111.605 -174.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 91.5 mmm -69.39 151.31 46.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.501 0.667 . . . . 0.0 112.569 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -175.33 138.4 4.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -152.54 156.68 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.283 0.541 . . . . 0.0 111.095 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.79 126.5 35.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -106.26 106.28 16.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.38 159.01 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.202 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.48 159.2 32.27 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.668 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 m -103.33 131.85 50.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.607 0.203 . . . . 0.0 110.61 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -75.81 114.9 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 p -86.89 -36.71 18.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -150.58 124.05 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.473 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 64.6 t -134.02 129.15 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 77' ' ' LYS . 3.3 p -141.15 134.02 30.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.18 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.45 131.5 42.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.357 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 1.4 p-10 48.03 25.48 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.075 1.35 . . . . 0.0 113.802 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HB3' HG13 ' A' ' 74' ' ' VAL . 55.8 tttp -125.36 -64.9 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.372 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -157.11 140.22 15.42 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.193 0.52 . . . . 0.0 111.54 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.2 mt -120.31 118.5 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.706 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.35 130.28 56.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.173 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.91 153.96 40.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.08 123.19 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -118.65 108.71 15.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.25 0.547 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.76 -119.09 8.03 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.356 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -101.48 -0.58 34.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.643 0.735 . . . . 0.0 109.892 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -108.64 163.62 13.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.912 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 t -143.68 157.18 44.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.22 142.66 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.663 0.268 . . . . 0.0 111.204 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -118.26 112.54 20.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.877 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.6 t -104.7 112.87 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -107.71 141.55 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -112.39 103.95 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.88 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.78 119.28 38.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.432 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.24 122.24 26.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.406 0.622 . . . . 0.0 111.927 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.21 27.13 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.607 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.67 -12.1 32.19 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.272 1.981 . . . . 0.0 112.706 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -106.44 -14.43 15.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.691 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.07 -159.73 32.22 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.911 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 13' ' ' VAL . 57.4 t -112.27 123.42 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.226 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 m -91.11 103.24 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.805 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.91 124.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -112.85 117.02 30.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.229 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.48 107.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.863 0.364 . . . . 0.0 110.314 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -111.18 109.01 18.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.18 153.05 43.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.002 0.43 . . . . 0.0 111.312 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.98 117.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 147.17 28.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.592 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 111' ' ' TYR . 8.6 tp10 -63.27 125.6 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 p -79.26 -21.8 45.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.168 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -79.58 -21.78 44.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.521 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 16.5 m-85 -100.63 151.17 37.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.494 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 15.4 Cg_exo -68.78 138.47 41.17 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.683 2.256 . . . . 0.0 112.037 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.3 -39.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.62 -53.46 51.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.809 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 34.2 tt0 -63.79 -42.09 97.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.354 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.84 -40.59 79.35 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.844 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.39 -43.67 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.603 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -73.04 -29.87 63.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.875 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -77.89 -50.83 6.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.262 -0.494 . . . . 0.0 112.985 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.19 -33.8 76.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.632 0.216 . . . . 0.0 110.896 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.66 -33.22 70.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.27 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.327 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.03 -42.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.329 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 35.6 mt -63.23 -36.88 85.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 91.4 m-20 -62.19 -56.56 17.53 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -54.42 -43.64 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 131' ' ' VAL . 74.9 t80 -54.19 -56.64 16.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.348 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 7' ' ' THR . 22.1 pttm -71.01 -25.19 62.57 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.315 -177.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 33.2 mmm-85 -64.11 -45.91 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -60.52 -37.09 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.047 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 59.4 t -80.14 -54.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -70.14 -30.91 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.1 t -75.61 -13.08 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.986 0.422 . . . . 0.0 110.133 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -92.19 -24.44 19.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.578 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.0 mt -69.34 109.49 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.422 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 47.21 -121.34 1.22 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.768 0.667 . . . . 0.0 110.553 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 57.8 m80 58.47 24.61 12.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.841 0.353 . . . . 0.0 111.298 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -117.17 94.38 4.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.971 -175.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -86.03 109.84 19.08 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 172.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -107.8 -16.23 14.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.869 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -145.47 80.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.762 0.315 . . . . 0.0 110.675 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.538 178.518 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.61 0.243 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -107.22 110.29 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.403 HD11 HG13 ' A' ' 113' ' ' VAL . 61.8 mt -98.81 133.9 39.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.07 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -116.84 112.56 21.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -113.64 167.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.375 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.28 165.99 34.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 111.848 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.541 ' CB ' ' HB3' ' A' ' 124' ' ' LEU . 0.9 OUTLIER -163.98 117.91 1.48 Allowed 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.167 -176.093 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 92.4 m -95.12 119.57 33.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.871 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.4 t -100.51 146.84 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.636 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.25 12.54 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 111.461 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -103.78 153.83 38.44 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.76 151.05 85.49 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.357 2.038 . . . . 0.0 111.262 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.19 -25.55 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.101 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.0 90.18 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.257 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.76 -39.66 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.599 -0.353 . . . . 0.0 110.463 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.45 -46.96 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -56.89 -49.47 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.163 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -67.46 -44.22 79.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.165 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 t80 -79.55 -14.72 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.524 ' HB ' HD22 ' A' ' 45' ' ' LEU . 33.6 p -115.22 -9.2 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.9 m -91.94 110.28 42.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 11.2 Cg_endo -53.74 -38.87 85.23 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.339 2.693 . . . . 0.0 113.238 -173.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-10 -62.94 -34.77 78.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 13.1 t70 -83.66 -40.2 19.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' THR . 82.4 mt -51.48 -45.46 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.607 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 10.7 mtmp? -56.52 -17.85 9.69 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 25' ' ' ASP . 56.2 mt-30 -86.85 -19.49 28.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 -174.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 55.7 p-90 -129.91 -14.62 3.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -77.42 85.0 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.152 0.977 . . . . 0.0 111.374 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.73 133.53 5.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.351 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 -22.02 38.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.474 0.654 . . . . 0.0 110.263 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 p -157.03 160.05 38.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.909 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.24 -3.85 35.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.404 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.64 -24.13 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.305 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -109.07 155.0 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.66 131.0 9.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.335 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -78.24 112.06 14.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.299 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -83.94 -37.08 22.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.015 0.436 . . . . 0.0 110.86 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.81 127.37 26.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.68 116.19 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -120.73 116.38 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.641 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.19 120.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.142 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -106.19 90.54 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' HB ' ' A' ' 21' ' ' THR . 32.0 tp -81.4 101.86 10.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.409 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -174.0 172.27 3.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.342 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.28 116.25 10.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.52 71.86 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.325 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.98 15.88 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.15 155.37 25.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 p90 -127.19 143.76 51.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.935 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 m -124.37 125.91 45.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.31 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 p -128.44 115.71 18.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.342 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -83.32 106.59 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.9 mmt -92.69 116.27 28.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.949 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.004 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.99 136.04 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.56 -21.41 64.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.23 -15.76 51.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.546 0.212 . . . . 0.0 111.295 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.55 16.32 80.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.603 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -80.22 -45.11 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.258 0.551 . . . . 0.0 110.162 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.5 mtm -122.72 155.67 35.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.8 138.52 3.83 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -161.44 154.24 20.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.924 0.393 . . . . 0.0 110.419 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.69 110.12 22.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.241 0.543 . . . . 0.0 109.806 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.3 110.55 14.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -117.91 129.84 55.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.86 145.77 16.95 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 m -105.65 124.9 50.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.36 112.84 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.998 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 p -83.98 -38.64 20.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -145.38 118.37 8.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.132 0.491 . . . . 0.0 110.572 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.04 120.44 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.595 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.3 p -132.82 124.5 50.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.721 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.24 131.59 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.147 -170.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 63.78 16.29 9.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.142 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.657 ' HB2' HG13 ' A' ' 74' ' ' VAL . 31.8 mmtp -119.82 -71.75 0.72 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 111.049 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 10.1 ptp85 -158.29 151.41 22.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.24 0.543 . . . . 0.0 111.352 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.1 111.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.282 174.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -108.38 123.28 48.6 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.66 144.36 41.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 110.5 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -109.81 122.62 47.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.226 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -107.88 110.35 22.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.336 0.589 . . . . 0.0 110.001 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -104.49 1.5 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.817 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -114.1 -13.46 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.653 0.263 . . . . 0.0 111.078 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -119.6 142.74 48.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 111.054 -174.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.1 t -109.81 162.38 14.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.287 0.565 . . . . 0.0 112.102 -172.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.06 131.8 35.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.635 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -114.02 111.99 22.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.54 HG22 HG13 ' A' ' 103' ' ' VAL . 59.2 t -102.61 115.77 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.142 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 42.6 mt-10 -111.08 137.7 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.002 0.429 . . . . 0.0 111.358 -177.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -102.79 108.23 19.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.635 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.31 110.6 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.04 111.41 6.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 110.733 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.97 168.32 8.4 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.96 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.74 -34.57 72.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.141 1.894 . . . . 0.0 111.844 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -87.94 -5.24 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.286 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.97 -135.8 5.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.465 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.89 118.33 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 34.8 m -91.73 106.64 18.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.512 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.51 105.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.753 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -104.13 116.93 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 90' ' ' VAL . 60.3 t -103.33 108.04 23.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 p -99.46 104.61 16.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.566 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -122.62 154.28 38.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.802 0.334 . . . . 0.0 111.374 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.6 t -85.37 122.34 38.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.794 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.6 146.75 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.708 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.02 119.34 30.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 p -69.83 -7.38 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.381 0.61 . . . . 0.0 110.615 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.19 0.09 55.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.706 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -141.46 160.07 58.31 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.09 127.85 26.71 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.903 2.402 . . . . 0.0 112.281 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.403 HG13 HD11 ' A' ' 3' ' ' ILE . 63.1 t -62.52 -52.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.106 -174.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 115' ' ' GLN . 8.9 pt-20 -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -174.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.406 ' NE2' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mp0 -65.78 -31.48 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.726 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 51.2 mt-30 -79.78 -47.56 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -54.36 -55.09 32.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.966 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -73.12 -25.74 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.425 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.16 -55.47 21.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.148 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 87.8 m95 -63.25 -36.87 85.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.58 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.91 -39.56 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.913 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 119' ' ' GLY . 72.3 mt -60.95 -44.74 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 7' ' ' THR . 42.5 mt -63.54 -45.31 91.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.456 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.41 -39.91 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.99 -42.95 72.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.164 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 131' ' ' VAL . 77.4 t80 -58.28 -47.34 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.316 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -52.25 -59.14 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.548 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -61.52 -38.4 87.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.847 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.55 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.2 t -67.9 -45.55 83.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.961 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.14 -38.84 87.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.321 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.3 m -73.02 -36.47 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 0.0 110.63 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -66.59 -30.31 70.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.605 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 11' ' ' ALA . 96.8 mt -56.15 143.41 33.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.24 175.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.35 22.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -86.9 -80.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 29.16 79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.43 1.082 . . . . 0.0 112.9 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -74.17 93.67 2.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -132.23 107.56 8.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -93.13 -66.09 0.95 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.077 171.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 121.051 0.453 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -104.8 130.8 52.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.063 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 113' ' ' VAL . 57.0 mt -109.27 128.55 65.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -118.24 111.07 18.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.926 0.393 . . . . 0.0 110.152 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 m -121.04 134.82 63.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.675 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -134.53 164.65 26.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.148 0.499 . . . . 0.0 111.773 -176.156 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -156.33 130.57 8.68 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.362 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 46.5 m -96.17 115.01 26.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 0.0 111.041 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.4 t -90.21 135.31 26.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -3.53 28.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.387 . . . . 0.0 111.543 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -91.46 152.81 43.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 161.65 37.98 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.117 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.3 -23.16 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.241 -174.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -29.29 67.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.055 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.1 mttm -85.48 -51.44 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.986 0.422 . . . . 0.0 110.125 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.1 t -57.61 -47.81 84.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.049 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.8 t-105 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.716 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -81.36 -22.85 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 -29.13 61.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.328 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -83.81 -16.11 45.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.225 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.0 p -111.56 -23.22 10.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 26' ' ' ILE . 46.0 m -78.48 112.62 27.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.751 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.9 -34.28 96.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.219 2.612 . . . . 0.0 112.799 -175.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -61.9 -33.78 74.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.163 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.92 -30.34 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.102 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -56.04 -39.67 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.129 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.8 mtmt -62.18 -8.09 5.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.952 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -94.17 -49.62 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.071 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -100.78 -8.77 22.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 44.6 t30 -71.39 89.04 0.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 33' ' ' SER . . . -171.9 118.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.522 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.85 -23.17 63.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.704 0.764 . . . . 0.0 109.523 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 23.6 m -146.5 152.88 39.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -4.2 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.539 . . . . 0.0 110.428 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 12.4 m-20 -78.81 -10.42 59.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.54 147.86 26.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.446 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.3 p80 -140.22 135.52 32.45 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.859 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' HB3' ' A' ' 30' ' ' ASN . 19.6 m -73.65 111.85 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.92 -41.74 17.06 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.632 -172.399 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 54' ' ' ARG . . . -151.97 142.43 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.44 122.18 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.036 0.446 . . . . 0.0 111.602 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -122.97 115.58 22.14 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.44 115.71 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -105.4 108.86 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.926 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.6 tp -91.62 101.8 14.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.427 -173.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -169.64 165.7 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 48.8 mt-10 -66.44 103.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.62 9.23 33.51 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.18 176.47 53.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.35 155.37 44.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.101 0.45 . . . . 0.0 110.773 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -131.3 155.04 47.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 t -149.47 113.16 5.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -127.94 120.01 26.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.097 0.475 . . . . 0.0 111.505 -173.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 65' ' ' ASP . 49.2 mmm-85 -82.87 118.19 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.434 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 15.7 ptp -119.77 123.01 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.25 152.96 40.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.46 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.34 115.1 23.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 169.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 18.6 ptpt -62.68 -21.54 65.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -170.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.23 -18.55 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.14 -148.22 22.25 Favored Glycine 0 N--CA 1.437 -1.292 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.249 -174.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -115.21 -8.84 12.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.826 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mtp -84.32 147.06 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.276 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.69 137.43 2.2 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.127 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -161.37 177.44 10.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.737 0.269 . . . . 0.0 110.577 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' A' ' 54' ' ' ARG . 16.5 t70 -107.69 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.173 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -92.3 109.09 20.46 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.04 151.93 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.22 167.82 39.56 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.654 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -115.25 128.7 56.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.602 0.239 . . . . 0.0 110.71 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -75.33 102.78 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.425 ' H ' ' HA ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -83.29 -41.31 18.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 -172.516 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -146.02 115.59 7.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -124.79 120.9 59.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.754 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.5 p -125.96 127.71 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 43.1 tt0 -57.62 134.99 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.311 -171.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 50.79 22.5 1.16 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.945 1.298 . . . . 0.0 113.609 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB2' HG13 ' A' ' 74' ' ' VAL . 99.2 mttt -124.49 -68.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.164 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' H ' HG13 ' A' ' 74' ' ' VAL . 18.0 ptt180 -158.49 153.52 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.137 176.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 73' ' ' VAL . 48.6 mt -122.46 112.99 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.535 175.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -108.89 110.53 21.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' H ' ' A' ' 71' ' ' THR . 42.6 p90 -132.83 143.18 49.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.23 0.538 . . . . 0.0 111.602 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.24 126.51 51.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -124.83 111.1 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.346 0.593 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.16 -112.88 5.36 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.972 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -101.04 -7.25 23.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -110.48 167.74 9.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.264 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 106' ' ' VAL . 9.3 t -141.66 144.67 34.25 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.95 129.43 43.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.55 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HG2' ' OE2' ' A' ' 91' ' ' GLU . 27.6 ttpp -113.24 111.49 22.13 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.689 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.71 125.31 53.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.349 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 2.6 mp0 -104.78 135.39 46.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.01 101.96 11.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 171.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.58 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 75.6 mt -93.53 111.22 22.84 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 -174.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.23 106.12 4.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.556 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.6 162.1 20.92 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.158 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -67.46 -16.76 48.21 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.153 1.902 . . . . 0.0 112.409 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -106.61 -1.17 23.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.532 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.5 -145.83 14.47 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -128.28 121.09 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.038 0.447 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.58 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 20.7 m -89.82 113.86 25.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.786 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.7 t -82.9 105.36 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 47.7 ttt180 -110.3 107.34 17.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.82 111.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.7 m -109.55 104.8 13.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.431 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -127.94 158.84 36.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.841 0.353 . . . . 0.0 111.304 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 87' ' ' THR . 7.4 p -90.72 125.32 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.76 136.5 49.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.092 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.92 127.06 31.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.8 p -73.05 -6.74 47.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.986 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.45 -20.29 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.265 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -112.63 157.97 38.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.867 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.67 116.99 3.62 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.37 2.046 . . . . 0.0 112.193 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 3' ' ' ILE . 95.6 t -59.71 -42.77 89.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.6 -43.41 84.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.48 -43.03 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.85 -40.8 95.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.3 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.29 -54.57 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.972 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.77 -37.31 81.43 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.456 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.3 -58.16 15.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.227 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -67.62 -38.68 84.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -62.88 -41.64 99.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.71 -40.71 95.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.679 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.61 -39.08 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.242 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.44 -40.63 97.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 5.5 m-20 -63.19 -45.97 89.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.495 177.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.75 -44.94 95.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.898 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 131' ' ' VAL . 57.3 t80 -60.38 -52.27 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.963 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -61.9 -38.83 89.83 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.906 -175.144 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.13 -37.78 81.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 0.0 110.12 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.64 -34.07 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.4 t -80.84 -45.36 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 58.6 mt-10 -66.29 -29.93 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.295 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 p -75.92 -8.49 57.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -110.31 13.92 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.019 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 11' ' ' ALA . 97.2 mt -71.37 175.85 5.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 136' ' ' GLU . 8.0 pt-20 -69.02 80.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.833 0.825 . . . . 0.0 111.938 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -90.77 125.83 35.82 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -94.07 24.36 4.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -168.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 37.8 m80 71.05 111.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.839 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -69.16 126.63 30.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -81.2 68.95 7.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.192 0.52 . . . . 0.0 110.462 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.405 176.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.935 0.398 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -123.36 120.92 34.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.511 HD11 HG13 ' A' ' 113' ' ' VAL . 63.4 mt -99.06 132.02 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -114.14 113.25 24.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.257 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.4 m -113.98 136.1 51.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.495 176.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 8.7 pt-20 -146.81 157.67 43.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.979 0.418 . . . . 0.0 111.907 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -161.36 146.17 13.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.602 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 12.4 m -97.65 124.39 41.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.982 0.42 . . . . 0.0 111.324 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' ALA . 39.6 t -97.55 132.79 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.11 11.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -108.29 149.72 39.61 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.446 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.05 146.62 95.64 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.626 2.217 . . . . 0.0 112.253 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 ' HB ' HG21 ' A' ' 99' ' ' VAL . 12.2 p -60.24 -26.59 37.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.647 ' HA2' HD21 ' A' ' 76' ' ' ASN . . . -57.24 -37.36 80.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.322 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.87 -39.71 17.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.665 0.269 . . . . 0.0 110.541 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.55 -42.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 63.7 t-105 -56.42 -49.42 74.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.017 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -74.35 -31.88 62.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.398 -174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.67 -23.5 63.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -93.1 -9.37 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.879 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 p -117.57 -22.07 8.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.2 m -83.65 114.34 53.0 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.556 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.5 Cg_exo -52.46 -35.9 67.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.376 2.718 . . . . 0.0 113.305 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.19 -36.01 82.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.249 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -33.44 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.725 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.56 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 75.1 mt -56.08 -44.84 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.212 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 63.5 pttt -68.02 -6.35 22.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.881 0.372 . . . . 0.0 111.396 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.9 -22.64 20.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.106 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 43.6 p-90 -121.14 -5.66 9.47 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.42 71.46 3.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.4 0.619 . . . . 0.0 110.566 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.65 136.77 7.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.572 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.37 -25.41 57.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.262 0.553 . . . . 0.0 110.746 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -157.33 172.85 17.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -65.23 -23.42 67.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.836 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.3 m-20 -62.64 -22.01 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.319 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.535 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 76.4 m95 -107.59 155.41 20.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.572 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -155.7 150.1 25.89 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 27' ' ' LYS . 5.8 m -91.77 126.58 36.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 p -92.91 -38.88 11.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.95 151.3 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.72 115.34 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 m -115.34 113.54 23.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.827 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.556 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 65.8 t -131.32 115.96 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.904 0.383 . . . . 0.0 111.37 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -104.21 108.27 19.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.8 tp -87.06 102.07 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.391 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -175.23 161.62 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.377 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.03 107.32 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.6 -2.8 32.38 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 159.73 30.86 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.88 156.4 39.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 117.208 0.504 . . . . 0.0 111.241 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 43' ' ' VAL . 45.6 p90 -127.25 144.51 51.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -141.04 107.63 5.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.213 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -114.64 132.75 56.27 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -98.05 104.09 16.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.2 ttm -100.47 114.19 27.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 44.3 mt-10 -124.95 152.08 44.61 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -98.62 150.0 22.2 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.002 0.429 . . . . 0.0 111.011 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.5 ptpt . . . . . 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.652 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 111.867 -0.493 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -153.52 168.28 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.913 0.356 . . . . 0.0 110.781 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.06 130.52 55.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -104.99 106.5 17.02 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -123.36 141.83 51.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.233 -176.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -158.42 163.36 32.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.754 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -112.95 132.46 55.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -80.31 105.49 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.152 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -84.38 -40.3 18.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.835 0.35 . . . . 0.0 110.696 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 53.4 mmtt -133.59 126.56 31.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.5 0.667 . . . . 0.0 111.945 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.5 108.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.765 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.593 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 47.4 t -108.95 109.19 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 41.7 tt0 -60.07 124.68 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.993 -172.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.647 HD21 ' HA2' ' A' ' 14' ' ' GLY . 12.0 m120 65.41 24.71 11.99 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.128 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.1 tttt -139.88 -64.68 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.129 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.593 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 10.3 ptm85 -150.67 139.0 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.245 0.545 . . . . 0.0 111.5 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mt -118.23 107.73 22.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.807 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 49.8 mt-10 -106.97 112.67 25.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -134.82 164.94 26.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 0.0 111.575 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.76 120.83 35.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.915 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.418 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 12.7 p90 -111.38 108.1 17.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.529 0.68 . . . . 0.0 110.22 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.32 -111.62 3.56 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.244 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -109.72 -0.13 18.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -105.07 163.82 12.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.387 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 7.3 t -136.66 146.09 45.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.924 0.393 . . . . 0.0 110.556 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.27 142.6 30.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.203 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 10.0 ptpp? -118.8 125.57 49.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.332 0.587 . . . . 0.0 110.221 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.38 110.14 26.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.526 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -107.07 133.67 51.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.868 0.366 . . . . 0.0 110.149 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -99.59 103.82 15.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.6 mt -88.75 115.62 26.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.955 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.99 106.68 12.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.348 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 160.76 25.29 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.99 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 24.0 Cg_endo -62.82 -22.88 74.23 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.498 2.132 . . . . 0.0 112.904 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 8' ' ' THR . 7.9 pt20 -92.76 -9.88 38.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.244 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.04 -163.47 28.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.727 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.454 HG21 ' HB ' ' A' ' 13' ' ' VAL . 42.2 t -104.66 119.49 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 117.099 0.449 . . . . 0.0 111.281 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.9 m -85.25 110.28 18.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.257 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 45.7 t -81.24 106.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.569 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.411 ' HD2' HD11 ' A' ' 93' ' ' LEU . 35.8 ttt180 -104.05 113.38 26.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.505 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.1 108.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -104.03 116.71 32.72 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -130.69 153.69 48.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.414 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.6 134.24 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.927 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.69 146.85 52.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -73.98 152.08 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 p -95.12 -21.32 18.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.363 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.74 -5.85 57.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.526 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.46 147.27 36.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.616 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.59 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 39.4 Cg_exo -57.63 106.19 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.613 2.209 . . . . 0.0 112.129 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.511 HG13 HD11 ' A' ' 3' ' ' ILE . 86.7 t -55.64 -43.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.249 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.99 -41.62 92.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 29.2 tt0 -63.15 -41.91 99.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 30.2 mt-30 -67.34 -48.21 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.22 0.534 . . . . 0.0 109.823 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.18 -52.12 67.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.556 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -67.12 -28.64 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.031 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.56 -52.71 49.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.584 175.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 47.0 m95 -66.55 -37.41 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.26 -41.71 97.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.97 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.6 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 73.6 mt -61.05 -42.64 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 79.8 mt -62.8 -37.09 85.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.24 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -62.94 -43.02 99.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.492 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 52.6 t30 -67.44 -44.94 77.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.346 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 131' ' ' VAL . 55.0 t80 -59.14 -50.26 74.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.679 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -50.15 -56.63 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.161 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmt180 -65.0 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.953 -176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -62.75 -39.6 94.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' PHE . 46.1 t -70.81 -40.05 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 0.0 110.337 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -74.24 -25.92 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.653 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -87.32 -16.04 36.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.935 0.398 . . . . 0.0 110.168 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -77.21 -15.24 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.676 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.822 176.484 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.549 ' HB3' ' HB3' ' A' ' 107' ' ' ALA . 9.3 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.098 0.475 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.3 98.58 5.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.267 0.556 . . . . 0.0 109.954 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.3 mt -93.67 135.25 28.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 m -121.24 111.31 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.049 0.452 . . . . 0.0 110.327 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.8 m -113.66 142.07 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.81 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.3 pt-20 -142.95 164.64 29.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 0.0 111.542 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -159.4 151.5 20.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.973 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 51.4 m -110.88 116.68 31.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.6 t -93.68 147.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.455 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.37 11.83 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.157 0.503 . . . . 0.0 111.222 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -104.59 150.03 38.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.8 152.91 53.74 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.737 2.291 . . . . 0.0 112.138 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.53 -27.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.43 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.3 -40.94 98.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.586 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.52 -36.88 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.624 -0.339 . . . . 0.0 110.363 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.46 HG22 HG11 ' A' ' 131' ' ' VAL . 41.2 t -65.28 -42.12 93.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.6 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 54.9 t-105 -62.02 -51.75 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.947 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.91 -41.46 95.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.032 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.26 -31.77 73.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.845 0.355 . . . . 0.0 111.459 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.96 -17.53 37.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -108.12 -30.12 8.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' ILE . 27.2 m -73.36 116.7 53.76 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 110.619 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 10.9 Cg_endo -54.53 -45.26 42.33 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.255 2.637 . . . . 0.0 112.829 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 48.5 mm-40 -70.2 -15.42 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 4.2 t70 -89.58 -43.61 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.674 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 81.8 mt -52.43 -43.2 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 55.5 mtmt -61.44 -12.24 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -97.39 -8.01 30.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.674 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 60.5 p-90 -131.73 -15.17 3.11 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.92 94.31 2.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.67 111.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.069 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.37 -6.43 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.35 0.595 . . . . 0.0 110.358 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -161.42 150.96 16.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.027 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.36 -1.3 40.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 110.765 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.82 -16.03 60.15 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.16 0.505 . . . . 0.0 109.751 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -111.82 152.15 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.298 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.5 p80 -141.95 135.49 29.43 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -83.85 110.97 18.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.574 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -83.41 -41.77 17.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.549 -174.123 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.84 156.84 42.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.77 118.13 4.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.773 0.32 . . . . 0.0 110.97 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.4 m -112.94 115.0 27.74 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.4 t -125.53 122.49 62.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.918 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -111.2 96.84 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.99 101.31 7.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.751 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -175.73 164.09 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.966 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.8 103.59 2.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.67 -3.86 29.21 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.471 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 151.54 23.34 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.07 161.21 19.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.082 0.467 . . . . 0.0 110.969 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 p90 -130.33 144.11 51.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.93 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -143.75 122.2 12.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.157 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 t -128.15 136.35 51.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -89.4 105.2 17.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.296 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -104.85 113.79 27.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -122.88 149.45 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.68 142.83 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 120.72 0.295 . . . . 0.0 111.695 -176.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.616 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.29 163.18 39.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.197 0.523 . . . . 0.0 111.232 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.43 100.55 13.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.662 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -75.82 105.7 7.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.03 142.96 42.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.88 175.77 39.99 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -124.62 137.34 54.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.13 0.465 . . . . 0.0 111.202 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -78.8 98.16 6.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -90.48 -23.67 20.91 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -148.14 114.79 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.948 0.404 . . . . 0.0 109.935 -177.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -139.37 133.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -174.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -132.54 111.39 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.6 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 32.3 tt0 -60.01 135.62 57.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.385 -170.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 72.0 3.19 4.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.326 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.816 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 10.2 mmpt? -113.81 -77.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.612 0.244 . . . . 0.0 110.906 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -158.16 163.35 37.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 73' ' ' VAL . 60.2 mt -127.62 126.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.677 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.2 mt-10 -113.65 110.48 20.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -119.78 146.53 45.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 110.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.85 145.44 45.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 111.484 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.61 104.65 6.15 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.661 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.45 -121.82 9.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.155 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -103.64 -2.66 26.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.033 0.444 . . . . 0.0 110.8 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -107.08 152.05 24.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.513 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 t -139.37 155.95 47.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -174.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.32 130.16 34.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.554 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 104' ' ' SER . 14.8 ptpt -113.78 131.1 56.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 103' ' ' VAL . 46.5 t -111.95 111.84 37.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.63 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -106.52 134.17 50.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.873 0.368 . . . . 0.0 110.451 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -105.81 103.51 13.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.7 mt -108.28 134.22 51.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.06 114.94 15.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.276 0.56 . . . . 0.0 110.598 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.84 160.15 27.34 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.564 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 12.8 Cg_endo -58.1 -24.27 65.33 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.235 1.957 . . . . 0.0 112.371 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.88 5.37 40.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.71 -130.35 4.51 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.48 118.12 54.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.945 0.402 . . . . 0.0 110.612 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 58.4 m -88.43 110.25 20.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.202 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -85.18 105.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.258 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -106.48 110.28 22.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.096 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 90' ' ' VAL . 47.3 t -107.11 111.92 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.799 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 10.9 t -107.43 118.42 36.69 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.462 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 52.9 p90 -127.59 154.46 45.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 111.213 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -87.14 116.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.778 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 1' ' ' MET . . . -89.15 146.72 24.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.113 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.87 130.06 42.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.25 1.74 31.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -170.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.97 7.8 43.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.207 0.527 . . . . 0.0 111.043 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 70.5 m-85 -127.97 148.72 68.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 52.9 Cg_exo -52.72 120.25 7.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.403 2.069 . . . . 0.0 112.048 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 3' ' ' ILE . 48.8 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.405 -174.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 0.9 OUTLIER -68.71 -33.92 74.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -177.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 109.956 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 50.4 mt-30 -68.37 -50.21 54.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -56.43 -48.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.525 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mm-40 -68.69 -37.97 79.97 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.456 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.9 -53.36 46.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.405 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.472 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 80.5 m95 -60.03 -40.13 88.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.703 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -62.78 -44.23 96.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.327 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.33 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.576 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 119' ' ' GLY . 78.4 mt -59.16 -45.14 92.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.591 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -41.16 99.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.731 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -67.99 -42.0 81.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.822 0.344 . . . . 0.0 110.603 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -63.97 -39.32 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.7 t80 -60.86 -50.88 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.576 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.588 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 59.6 tttp -52.61 -53.27 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.294 0.372 . . . . 0.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -57.66 -33.62 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 110.857 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -75.05 -29.14 60.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.055 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 127' ' ' PHE . 40.3 t -82.13 -35.03 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 75.1 mm-40 -59.79 -36.75 77.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 109.953 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 p -81.24 3.22 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.394 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -95.75 3.14 54.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.451 0.643 . . . . 0.0 109.454 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.321 -0.657 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.302 174.23 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.53 132.29 56.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.189 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt -108.41 134.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.767 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 m -105.8 111.24 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.843 0.354 . . . . 0.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.4 135.12 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 6.5 pt-20 -150.51 146.09 26.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.341 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.06 138.02 33.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.967 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.5 m -92.52 112.45 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.86 0.362 . . . . 0.0 110.687 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.8 t -97.25 144.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.874 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.47 11.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -111.06 151.16 42.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.786 -0.188 . . . . 0.0 110.833 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.6 Cg_exo -70.54 164.58 34.81 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.12 2.547 . . . . 0.0 112.044 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.449 ' N ' HG21 ' A' ' 99' ' ' VAL . 12.0 p -56.83 -32.86 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.61 50.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.943 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 66.9 mttm -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.688 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.33 -51.19 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.696 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 28.1 t-105 -53.62 -46.67 70.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.832 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.17 -49.99 75.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.937 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.92 -20.15 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.746 0.308 . . . . 0.0 111.753 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.504 ' HB ' HD22 ' A' ' 45' ' ' LEU . 20.5 p -102.95 -14.02 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -175.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.5 m -83.11 111.22 28.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 122.345 -0.222 . . . . 0.0 110.597 178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.495 ' HA ' HD12 ' A' ' 26' ' ' ILE . 14.8 Cg_endo -57.39 -27.62 76.62 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.189 2.593 . . . . 0.0 112.673 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' A' ' 24' ' ' GLU . 4.4 tp10 -70.04 -43.56 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.943 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.52 -37.63 83.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.304 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 22' ' ' THR . 69.5 mt -54.94 -40.93 55.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.568 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 51.3 mttp -58.92 -17.29 23.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.836 0.35 . . . . 0.0 111.68 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.527 ' OE1' ' HE1' ' A' ' 130' ' ' HIS . 96.6 mt-30 -100.34 -12.24 19.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 51.5 p-90 -127.29 -9.74 5.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.583 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.05 58.24 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.427 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.19 125.56 5.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.469 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.22 62.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.257 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -146.43 160.99 41.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.02 -7.99 53.7 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.306 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -73.55 -19.76 60.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.466 0.65 . . . . 0.0 109.503 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 60.0 m95 -102.51 162.79 12.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.578 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -148.93 132.14 16.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 m -76.81 105.66 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -35.79 25.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.566 -172.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -148.69 133.54 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.121 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HB3' ' HG2' ' A' ' 27' ' ' LYS . . . -147.6 110.44 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.939 0.4 . . . . 0.0 111.037 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -121.54 124.11 43.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.657 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 51' ' ' PHE . 93.3 t -128.9 121.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.41 -174.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.67 102.35 13.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.893 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 21' ' ' THR . 60.0 tp -80.77 91.76 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.485 0.66 . . . . 0.0 110.32 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -166.79 154.38 9.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.513 -178.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.33 109.29 6.74 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.56 2.59 46.99 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.533 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -93.81 153.99 21.44 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -114.17 161.89 17.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.552 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.5 p90 -134.76 147.41 50.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.845 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -139.05 117.08 11.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.217 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 23.0 t -129.79 108.6 10.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.758 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 36.9 ttp-105 -85.75 115.82 23.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.9 mtp -100.14 114.54 28.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.323 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 41.6 mt-10 -121.57 163.1 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.109 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -92.31 149.8 21.22 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 111.577 -178.281 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 111.854 -0.499 . . . . 0.0 111.854 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -163.37 142.12 8.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.691 0.281 . . . . 0.0 110.603 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 m-20 -83.61 106.13 15.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.54 107.14 9.78 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 140.62 44.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.976 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.74 166.21 30.26 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.618 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 18.1 m -132.33 130.28 40.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.754 0.277 . . . . 0.0 110.294 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -77.66 109.95 12.08 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -84.42 -30.75 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.987 0.422 . . . . 0.0 110.639 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 31.5 ttmt -149.21 136.42 19.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.107 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.42 104.31 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.56 HG11 ' HD2' ' A' ' 77' ' ' LYS . 23.3 t -105.66 105.52 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.1 tt0 -58.76 137.25 57.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.506 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 49.29 28.28 2.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.591 1.156 . . . . 0.0 113.001 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.56 ' HD2' HG11 ' A' ' 74' ' ' VAL . 38.7 ttmt -137.86 -68.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.157 -0.339 . . . . 0.0 111.622 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NH1' ' HD2' ' A' ' 89' ' ' LYS . 9.3 ptp180 -149.5 143.76 25.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.224 0.535 . . . . 0.0 111.72 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.1 mt -117.37 118.57 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.735 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 52.2 mt-10 -112.97 117.55 32.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 110.076 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -140.23 153.54 46.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.193 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -113.25 102.97 10.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.398 0.618 . . . . 0.0 109.967 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.5 -113.37 4.05 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.475 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.48 -2.84 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 0.0 111.042 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 76.4 mtm180 -113.98 151.5 32.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.357 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.1 t -125.3 156.86 37.97 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -136.38 138.66 41.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HD2' ' NH1' ' A' ' 78' ' ' ARG . 28.7 ttpt -113.3 111.5 22.13 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 103' ' ' VAL . 48.6 t -96.11 111.82 27.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.3 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.35 134.17 51.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.93 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.01 104.09 14.25 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 102' ' ' ARG . 50.0 mt -96.26 108.4 20.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.445 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.642 ' HG2' HG22 ' A' ' 99' ' ' VAL . 29.2 mt-10 -80.52 107.27 13.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.535 0.684 . . . . 0.0 110.89 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.82 161.06 23.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.788 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -60.8 -19.87 63.53 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.684 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -99.83 5.13 45.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 110.822 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.35 175.97 14.25 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.969 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 94' ' ' GLU . 92.4 t -91.45 123.33 43.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 0.0 110.748 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 55.8 m -94.63 115.88 28.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.232 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.53 105.59 11.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' A' ' 93' ' ' LEU . 18.4 ttt180 -105.42 107.79 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.352 -174.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 90' ' ' VAL . 45.5 t -108.53 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.6 m -100.41 106.72 18.33 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 48.1 p90 -115.88 150.48 36.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.69 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.532 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 85.9 t -71.74 123.49 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.911 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.68 146.89 27.92 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.324 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 129.04 35.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.182 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.9 p -73.22 -17.39 61.35 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.912 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -94.14 6.36 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -123.18 150.68 60.51 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.895 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.56 131.0 39.96 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.567 2.178 . . . . 0.0 112.254 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.21 -37.89 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.662 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.8 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.892 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.88 -52.74 61.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.338 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.43 -41.09 96.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.69 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -69.41 -46.97 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.578 0.228 . . . . 0.0 110.808 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.49 -41.07 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.048 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.75 -51.22 60.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -67.33 -36.3 81.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.559 0.218 . . . . 0.0 111.129 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.88 -38.21 88.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 110.255 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.06 82.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.722 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 119' ' ' GLY . 74.5 mt -66.52 -42.63 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.64 -39.43 93.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 94.3 m-20 -63.14 -42.87 99.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.738 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.542 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 55.5 t30 -67.3 -41.18 85.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 0.0 109.984 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.48 -44.04 97.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.32 -47.59 81.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.703 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 41.7 mtm180 -59.6 -42.07 91.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.115 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.527 ' HE1' ' OE1' ' A' ' 28' ' ' GLN . 39.2 t60 -58.04 -40.08 80.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.929 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.57 -50.79 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.122 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.549 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 76.5 mt-10 -65.96 -32.62 74.21 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -174.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.4 t -78.68 -11.45 59.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.368 . . . . 0.0 110.35 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -100.34 -8.83 22.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 76.5 mt . . . . . 0 C--O 1.233 0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -100.35 126.84 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.809 0.337 . . . . 0.0 111.164 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.553 HD11 HG13 ' A' ' 113' ' ' VAL . 63.2 mt -110.95 123.1 66.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -103.01 111.29 23.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.965 0.412 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -115.69 137.05 50.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.655 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -133.6 160.81 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.541 0.686 . . . . 0.0 112.487 -175.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -151.85 119.6 6.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.829 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.628 ' O ' ' HE2' ' A' ' 128' ' ' LYS . 34.7 m -90.48 106.3 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.3 t -90.74 147.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.287 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 12.18 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 111.712 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -105.04 149.95 38.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.743 -178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.61 159.34 28.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.58 2.187 . . . . 0.0 111.918 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.68 -33.58 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.39 92.56 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.4 -38.82 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.719 0.295 . . . . 0.0 110.51 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.1 -41.71 79.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.49 -53.28 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -67.97 -37.06 81.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.436 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.061 0.458 . . . . 0.0 110.973 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -84.48 -16.15 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.208 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 p -107.61 -19.47 13.54 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG13 ' A' ' 26' ' ' ILE . 71.7 m -79.55 109.61 12.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 122.42 -0.175 . . . . 0.0 110.935 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.44 -32.1 95.6 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.007 2.471 . . . . 0.0 113.005 -174.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.56 -45.61 82.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.48 -30.27 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.816 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 22' ' ' THR . 70.3 mt -56.04 -41.97 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 22.8 mtpp -59.41 -16.41 23.15 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.692 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -93.82 -37.41 11.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 40.2 p-90 -107.76 -10.94 15.5 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -85.71 87.92 7.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.371 0.605 . . . . 0.0 110.813 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.57 117.18 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.317 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.1 -20.44 45.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -147.0 158.78 44.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.038 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -73.03 -1.56 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.176 0.512 . . . . 0.0 111.135 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -103.88 -2.04 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.207 0.527 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -129.63 155.74 45.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.69 152.89 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 14.6 m -74.1 114.06 12.0 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -83.88 -43.57 15.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 0.0 110.838 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.84 128.35 45.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.188 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.8 124.75 22.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.572 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -138.32 113.67 9.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.917 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.4 t -109.18 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.63 101.42 12.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -84.75 93.41 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -173.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.439 ' HG2' ' HA3' ' A' ' 49' ' ' GLY . 14.9 ptp180 -163.26 155.99 18.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.31 112.31 10.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.31 -8.36 35.33 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HG2' ' A' ' 46' ' ' ARG . . . -91.27 176.89 40.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.571 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.06 150.69 43.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.2 p90 -116.38 144.25 44.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 175.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -118.15 116.49 26.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.134 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -113.46 108.33 17.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.617 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 19.6 ttp180 -91.3 98.74 11.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.126 0.488 . . . . 0.0 110.345 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.52 113.92 22.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.693 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG2' ' CA ' ' A' ' 63' ' ' GLY . 37.6 mt-10 -127.23 157.07 40.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.63 148.27 38.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.858 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt . . . . . 0 C--N 1.32 -0.676 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 -177.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.446 -0.696 0 CA-C-O 120.809 0.116 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -158.39 165.89 33.58 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.617 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 p-10 -126.28 141.94 51.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.026 0.441 . . . . 0.0 111.151 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.53 126.2 54.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.856 174.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.79 52.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.946 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.11 128.79 6.53 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.708 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -96.93 125.8 41.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.67 0.272 . . . . 0.0 110.542 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.81 109.21 14.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 p -85.17 -27.36 26.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.188 0.518 . . . . 0.0 110.715 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 32.7 ttmt -145.16 135.12 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.749 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.3 t -139.54 113.43 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.449 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.5 p -126.83 126.97 69.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 172.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 30.1 tt0 -67.01 130.97 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.975 -168.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.519 ' ND2' ' HG2' ' A' ' 75' ' ' GLU . 59.9 m-80 64.86 20.52 12.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.662 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HB2' HG13 ' A' ' 74' ' ' VAL . 60.2 mttm -130.64 -70.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.512 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -157.21 147.88 21.37 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.108 -176.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.24 111.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.686 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 2.0 mp0 -101.72 122.81 44.61 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -142.55 159.03 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 111.18 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.5 148.84 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.06 117.02 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.2 -114.15 5.6 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -173.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -108.38 -10.42 15.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.51 165.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.323 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 13.6 t -143.69 149.72 37.62 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.15 130.52 25.31 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' CB ' ' HG3' ' A' ' 80' ' ' GLU . 9.7 ptmm? -113.83 127.54 56.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 0.0 109.804 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.68 107.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.125 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 47.0 mt-10 -110.06 137.33 47.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.023 0.44 . . . . 0.0 111.176 -176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 104.14 16.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.572 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 77.4 mt -90.84 105.23 17.68 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.986 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.71 103.94 7.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -108.76 165.76 12.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.445 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 30.7 Cg_endo -64.69 -16.2 54.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.219 1.946 . . . . 0.0 112.382 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -92.84 -14.09 28.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 143.66 -156.15 26.47 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.2 t -109.41 112.28 39.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.011 0.434 . . . . 0.0 110.572 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 30.5 m -83.46 107.86 16.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.51 105.51 11.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 26.4 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 -176.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.35 113.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.438 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -105.31 109.66 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -121.09 151.45 39.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.132 0.492 . . . . 0.0 110.99 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.53 115.64 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.127 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.3 147.63 22.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.367 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 8.2 tp10 -80.7 136.41 36.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 p -78.46 -24.79 45.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.073 0.463 . . . . 0.0 110.933 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 5.2 mm-40 -77.72 -20.91 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.004 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.18 156.83 35.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.105 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 115' ' ' GLN . 31.2 Cg_exo -59.38 106.96 0.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.703 2.269 . . . . 0.0 112.209 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.553 HG13 HD11 ' A' ' 3' ' ' ILE . 84.4 t -61.78 -38.63 80.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 12.8 tp10 -57.69 -53.86 53.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.59 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 112' ' ' PRO . 53.1 mt-30 -64.47 -34.96 79.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.479 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.64 -46.72 86.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.82 -52.45 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 76.6 mm-40 -62.6 -33.1 74.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.26 -55.31 30.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.47 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 55.2 m95 -64.15 -39.77 94.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.561 0.22 . . . . 0.0 110.985 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.84 -43.04 99.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.607 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.55 93.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 119' ' ' GLY . 79.0 mt -64.82 -42.81 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 177.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 65.3 mt -62.56 -35.81 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.636 0.255 . . . . 0.0 111.557 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -63.71 -50.33 69.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.755 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -65.98 -39.14 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.498 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 131' ' ' VAL . 58.0 t80 -58.75 -52.03 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.395 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 8' ' ' THR . 43.5 tttm -52.64 -56.7 13.54 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.5 mtm-85 -63.34 -28.96 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.291 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.3 -37.18 74.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 127' ' ' PHE . 56.3 t -71.59 -38.76 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 42.0 mm-40 -57.42 -43.3 83.68 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.9 t -73.88 -23.67 59.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.06 -26.47 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 11' ' ' ALA . 39.9 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.957 170.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' HG23 ' A' ' 109' ' ' THR . 15.1 tpt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.032 0.444 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -142.73 144.01 32.49 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 67.7 mt -105.04 136.13 40.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 m -108.92 110.89 22.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.224 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 m -118.04 137.52 51.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.4 pt-20 -140.66 157.98 44.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.049 0.452 . . . . 0.0 111.413 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -143.31 135.98 27.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.416 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -97.19 105.01 17.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.857 0.36 . . . . 0.0 110.631 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.7 t -95.66 140.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.83 12.42 13.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.041 0.448 . . . . 0.0 111.261 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -97.93 158.13 33.4 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.585 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 17.3 Cg_exo -65.31 153.76 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.446 2.098 . . . . 0.0 110.9 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.52 -23.25 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.317 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.466 ' HA2' HD21 ' A' ' 76' ' ' ASN . . . -67.11 -43.24 90.76 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.428 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -73.87 -39.56 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.588 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.81 -41.16 87.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 52.7 t-105 -59.25 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.046 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -59.3 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.795 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.26 73.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.938 0.399 . . . . 0.0 111.289 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -81.04 -17.68 49.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 45' ' ' LEU . 32.6 p -113.2 3.11 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 m -101.48 99.29 10.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.506 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HB3' HG23 ' A' ' 43' ' ' VAL . 11.8 Cg_endo -56.2 -36.88 97.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.904 2.403 . . . . 0.0 113.154 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.71 -34.51 75.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -85.58 -33.9 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.21 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.589 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 75.6 mt -53.51 -36.7 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.863 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.49 -13.64 2.47 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -101.15 -15.26 17.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 60.7 p-90 -131.37 2.97 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.245 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.483 ' HB2' HG22 ' A' ' 26' ' ' ILE . 3.5 t-20 -78.92 11.97 2.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.547 0.689 . . . . 0.0 110.453 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.99 110.22 22.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.07 -7.86 59.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.632 0.73 . . . . 0.0 109.485 173.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -150.42 144.62 25.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.23 -30.15 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.693 0.282 . . . . 0.0 111.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -74.12 -7.81 53.93 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -104.67 140.16 38.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.003 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -149.01 144.25 26.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.895 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 p -83.25 -41.56 18.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.098 0.475 . . . . 0.0 111.249 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.14 141.76 40.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.784 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.21 105.83 3.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -98.11 112.74 24.59 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 23' ' ' PRO . 73.0 t -115.17 110.17 31.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.24 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -95.7 91.21 5.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.8 tp -78.32 93.85 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.42 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 46' ' ' ARG . 7.0 ptt180 -164.02 153.6 14.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.69 104.38 4.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.166 0.508 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.83 -5.15 18.68 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.17 -164.98 40.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.104 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.05 157.49 39.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.929 0.395 . . . . 0.0 111.303 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -127.61 146.56 50.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.267 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 t -139.44 121.48 15.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -126.85 133.7 50.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.661 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' THR . 19.5 mmm180 -91.46 94.39 9.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.827 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.4 mtp -90.77 113.43 25.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.35 167.13 20.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.203 -174.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.81 149.27 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.4 mttm . . . . . 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.979 179.467 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.732 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -141.71 162.3 35.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.22 102.87 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.979 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -88.2 105.94 17.86 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.3 39.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.204 -174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.09 155.26 24.23 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -101.96 124.2 47.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.917 0.358 . . . . 0.0 110.74 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.25 108.97 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -92.18 -38.75 11.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.852 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 6.2 tmtm? -142.91 124.27 14.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 66.8 t -133.0 115.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 111.191 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.0 p -131.2 122.94 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.056 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tt0 -60.89 134.45 57.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.96 -172.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.466 HD21 ' HA2' ' A' ' 14' ' ' GLY . 14.0 m120 64.95 14.21 9.15 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.935 175.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 74' ' ' VAL . 2.1 tmtt? -126.13 -72.0 0.67 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.262 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.795 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 12.0 ptt180 -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 111.804 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.91 109.47 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.353 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HG2' ' CB ' ' A' ' 89' ' ' LYS . 41.7 mt-10 -110.07 124.75 52.04 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -139.97 142.74 36.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 0.0 111.379 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -100.82 119.78 39.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.127 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -112.23 107.31 16.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.472 0.654 . . . . 0.0 109.987 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -112.87 4.24 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.914 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.53 -2.58 23.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.02 0.438 . . . . 0.0 110.612 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 -115.85 169.08 9.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.4 t -136.15 151.47 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.574 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.25 133.58 33.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.077 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.577 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 21.0 ptmt -119.32 129.0 54.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.272 0.558 . . . . 0.0 110.58 178.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 103' ' ' VAL . 41.3 t -110.59 111.07 34.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.834 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.795 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 7.3 mt-10 -107.19 136.57 46.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.07 103.25 15.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.017 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.9 mt -85.88 106.86 17.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.048 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.16 106.76 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.48 162.9 18.25 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.865 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -59.26 -36.17 95.53 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.275 1.983 . . . . 0.0 111.971 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.41 -15.75 39.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.017 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.52 -130.28 2.29 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.605 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.97 120.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 19.3 m -88.41 103.61 16.01 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 46.4 t -82.08 105.55 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.813 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -106.56 119.07 38.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.97 0.414 . . . . 0.0 110.968 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 90' ' ' VAL . 48.4 t -106.76 115.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.923 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -112.48 112.24 23.66 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 39.1 p90 -126.0 144.27 50.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.9 t -71.63 126.31 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.584 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -124.59 147.75 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -172.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.3 122.34 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.62 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -75.12 -3.8 34.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.309 0.576 . . . . 0.0 110.681 174.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.59 -15.58 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.978 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.442 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 78.1 m-85 -119.41 159.78 44.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.205 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 14.7 Cg_endo -56.39 104.46 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.569 2.179 . . . . 0.0 112.538 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 3' ' ' ILE . 62.3 t -59.89 -38.41 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.59 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.47 -43.9 80.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.329 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.37 -37.36 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.994 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.5 mt-30 -67.07 -45.86 76.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 0.0 109.688 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -55.45 -54.13 47.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.281 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.47 -32.16 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.124 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.33 -52.52 43.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.404 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -69.32 -33.68 73.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.274 . . . . 0.0 110.916 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.9 -39.26 93.26 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.64 97.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.69 -47.76 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.5 -29.91 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.07 0.462 . . . . 0.0 111.081 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 8.8 t-20 -67.15 -49.26 65.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.3 -35.55 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.128 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 131' ' ' VAL . 65.9 t80 -55.24 -49.49 71.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.304 175.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 63.2 tttp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.574 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 11.0 mmt180 -55.19 -40.78 71.14 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.501 0.667 . . . . 0.0 110.416 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -73.75 -30.62 62.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.154 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.2 t -81.35 -37.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.791 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 80.4 mm-40 -59.56 -36.7 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 176.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.3 p -79.4 2.58 21.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.409 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -99.59 -3.79 32.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.0 109.707 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.4 mt . . . . . 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.635 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -119.8 123.02 42.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.694 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -104.52 126.28 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -112.32 115.89 29.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.581 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.428 ' HB ' ' OE1' ' A' ' 121' ' ' GLN . 17.2 m -114.34 141.46 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.76 176.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 10.1 pt-20 -145.08 148.44 33.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.572 . . . . 0.0 111.913 -175.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.495 ' OG1' ' HD3' ' A' ' 128' ' ' LYS . 15.4 t -140.63 136.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.865 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 49.3 m -100.75 112.39 24.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.029 0.442 . . . . 0.0 110.837 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' ALA . 10.7 t -96.49 143.81 11.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.47 7.37 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 111.61 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -107.38 146.08 32.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.612 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.85 150.65 87.67 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.819 2.346 . . . . 0.0 112.447 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.27 -28.34 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.692 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.58 -36.53 93.34 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.591 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -82.81 -39.69 21.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.562 -0.376 . . . . 0.0 110.274 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.82 -39.3 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.47 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 56.0 t-105 -52.69 -50.35 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.502 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -79.57 -32.2 42.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.232 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.72 71.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.084 0.469 . . . . 0.0 110.902 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.32 -17.56 39.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.813 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.1 p -109.8 -3.07 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.558 ' O ' HG13 ' A' ' 26' ' ' ILE . 74.3 m -95.62 108.88 42.73 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 52.7 Cg_exo -52.02 -42.18 60.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.54 2.827 . . . . 0.0 113.423 -173.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.77 -35.07 78.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.645 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' HA ' HE21 ' A' ' 28' ' ' GLN . 0.6 OUTLIER -84.11 -33.84 24.25 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.696 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.565 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 70.2 mt -52.99 -43.51 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.96 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 92.2 mttt -58.52 -18.79 32.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.691 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 25' ' ' ASP . 48.1 mt-30 -98.92 -7.7 26.73 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 39.4 p-90 -127.15 -18.87 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.086 176.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -78.09 94.8 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.239 0.543 . . . . 0.0 110.613 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.86 120.35 2.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.364 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.17 -13.68 56.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.269 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.426 ' HB3' ' HD1' ' A' ' 36' ' ' TRP . 35.5 t -163.93 169.15 18.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -72.07 -8.58 55.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.501 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.03 -30.77 20.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.62 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.426 ' HD1' ' HB3' ' A' ' 33' ' ' SER . 80.5 m95 -93.75 140.07 30.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.857 0.36 . . . . 0.0 110.706 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.578 ' HE1' HG23 ' A' ' 39' ' ' THR . 4.3 p80 -147.44 148.1 30.91 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.328 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 9.8 m -81.49 108.48 15.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.578 HG23 ' HE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.32 -28.5 31.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.363 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.8 21.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.065 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.71 120.72 7.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.937 0.399 . . . . 0.0 110.984 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.9 m -128.74 113.23 15.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.55 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.1 t -115.7 129.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -175.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.67 102.38 10.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -85.75 94.63 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.585 -171.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -168.58 159.11 9.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.967 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 43.0 mt-10 -74.55 106.54 6.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.986 0.422 . . . . 0.0 109.967 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.97 -7.51 21.62 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -173.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.24 -170.68 41.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.823 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.28 164.97 37.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.856 0.36 . . . . 0.0 111.022 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.55 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.8 p90 -127.57 142.68 51.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.937 176.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 p -115.3 111.01 20.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.999 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 66' ' ' PHE . 19.5 t -112.35 113.42 25.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.111 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -85.48 96.46 9.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.2 mmm -97.6 114.02 25.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.36 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 46.9 mt-10 -133.23 163.62 28.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.266 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.77 157.98 15.65 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.031 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -177.136 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -150.57 166.49 30.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 111.311 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.35 106.31 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.823 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 53' ' ' SER . 54.5 t80 -90.08 105.23 17.67 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.74 134.48 52.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.74 136.33 8.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.787 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 m -96.37 124.94 40.54 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -75.13 109.72 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.253 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -85.46 -40.34 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.138 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 9.1 tmtm? -152.62 129.76 11.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.188 0.518 . . . . 0.0 109.641 176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 46.3 t -129.52 141.05 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.426 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.2 p -142.59 124.08 12.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.229 0.537 . . . . 0.0 110.365 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.458 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.4 tt0 -57.72 129.49 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.515 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.5 23.65 13.74 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.687 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HG13 ' A' ' 74' ' ' VAL . 83.1 tttt -134.54 -69.07 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.76 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' H ' HG13 ' A' ' 74' ' ' VAL . 20.8 ptt85 -158.49 150.99 21.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.373 0.606 . . . . 0.0 111.706 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -121.77 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.341 175.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 89' ' ' LYS . 35.0 tt0 -112.42 123.63 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.22 142.87 48.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.73 134.47 52.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -128.21 99.01 5.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.665 0.745 . . . . 0.0 109.812 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.11 -120.94 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.697 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.45 1.68 49.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.326 . . . . 0.0 111.223 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 106' ' ' VAL . 11.8 mtm180 -122.1 150.07 42.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.718 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.466 ' H ' HG12 ' A' ' 106' ' ' VAL . 11.3 t -133.72 150.63 51.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.73 134.25 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.556 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -113.39 113.12 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 178.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.93 109.77 22.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.881 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.82 150.06 26.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -114.28 104.37 12.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.7 mt -105.39 108.48 20.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.638 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 99' ' ' VAL . 35.8 mt-10 -70.94 114.57 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.447 0.642 . . . . 0.0 111.191 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.8 159.32 29.99 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.14 174.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 10.8 Cg_endo -55.39 -28.23 62.33 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.664 2.243 . . . . 0.0 113.188 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG3' HG21 ' A' ' 8' ' ' THR . 4.1 pt20 -93.17 -10.47 35.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.77 179.26 29.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.665 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 94' ' ' GLU . 57.8 t -90.2 117.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.022 0.439 . . . . 0.0 110.708 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.9 m -88.88 108.79 19.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.438 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' HE2' ' A' ' 127' ' ' PHE . 48.7 t -82.21 114.08 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.579 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 10.8 ttp180 -114.63 118.36 33.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.759 -173.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.3 t -103.32 107.19 21.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.7 t -101.64 107.75 19.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -124.0 148.36 47.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 86' ' ' ARG . 7.6 p -78.34 119.34 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.484 0.659 . . . . 0.0 109.254 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.77 147.43 26.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.032 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -89.31 136.17 33.17 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -14.01 49.81 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HB2' ' OE1' ' A' ' 108' ' ' GLU . 34.0 mm-40 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.206 0.527 . . . . 0.0 109.632 172.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 48.3 m-85 -82.52 139.44 44.36 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.07 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 25.3 Cg_exo -62.73 138.2 67.96 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.42 2.08 . . . . 0.0 111.808 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.07 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.05 0.452 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 10.6 mp0 -54.45 -53.78 49.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.664 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.79 -43.46 85.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.5 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.17 -49.26 37.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.518 -176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -65.59 -57.9 7.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.958 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.32 -28.36 67.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.551 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.23 -55.26 24.74 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.01 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -67.59 -35.66 79.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.428 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 47.9 tp60 -65.63 -38.51 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.515 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.94 93.7 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.889 0.376 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.67 -44.69 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.971 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 74.2 mt -64.64 -29.51 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.584 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.64 -52.97 47.65 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.244 0.545 . . . . 0.0 109.951 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.59 -42.59 97.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.833 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.5 t80 -57.52 -55.07 39.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.764 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 129' ' ' ARG . 59.5 pttt -57.01 -48.84 77.51 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.273 -174.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 15.3 ptt180 -75.25 -23.72 57.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.748 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 59.8 t60 -69.78 -41.02 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.702 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 127' ' ' PHE . 60.6 t -68.24 -42.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.386 . . . . 0.0 110.485 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -64.2 -42.91 96.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.8 p -75.25 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.933 0.397 . . . . 0.0 110.665 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 2.4 t60 -84.75 -1.84 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 mt . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.73 0.776 . . . . 0.0 109.002 171.639 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HG23 ' A' ' 109' ' ' THR . 12.8 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.983 0.42 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -89.7 113.22 24.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.827 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.22 122.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -110.32 114.57 28.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.89 137.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 1.4 pp20? -143.71 147.84 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.149 0.5 . . . . 0.0 111.942 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 t -151.24 151.42 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.365 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 13.8 m -99.06 137.42 37.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 111.535 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.2 t -109.53 140.92 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.46 11.96 6.24 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -109.44 150.54 41.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.696 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.53 161.75 26.83 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 122.922 2.415 . . . . 0.0 112.221 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 99' ' ' VAL . 10.7 p -61.48 -30.62 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.714 -173.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -33.84 85.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -81.21 -42.0 21.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.14 -48.61 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.081 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 51.5 t-105 -58.06 -50.33 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.285 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -70.56 -35.19 72.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.652 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.24 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 110.699 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -83.41 -16.24 46.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.968 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -113.17 3.28 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 92.9 m -101.18 108.76 56.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.704 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.2 -47.58 19.21 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.567 2.844 . . . . 0.0 113.457 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 9.1 tp10 -54.88 -48.81 72.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.492 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 17.4 t70 -72.66 -38.06 67.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.784 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' THR . 84.3 mt -54.04 -41.71 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.397 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 10.0 mtmp? -64.67 -8.18 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.889 -176.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -97.53 -23.79 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.718 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 52.4 p-90 -119.47 -16.97 8.85 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -76.96 88.96 3.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.339 0.59 . . . . 0.0 110.934 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.9 116.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.915 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.42 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.308 0.575 . . . . 0.0 110.402 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -134.82 171.09 14.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.69 4.57 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.61 -26.69 41.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.065 0.46 . . . . 0.0 109.958 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.8 m95 -109.49 163.76 13.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.424 -172.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.44 ' HE1' HG23 ' A' ' 39' ' ' THR . 3.3 p80 -157.44 153.72 27.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.154 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.597 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 28.3 m -89.27 112.89 24.06 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.49 -35.57 27.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.987 -173.487 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.48 139.13 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.985 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -140.18 122.3 15.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.4 m -123.73 120.81 33.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.4 t -128.7 107.94 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.26 89.45 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.39 91.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.097 0.475 . . . . 0.0 110.605 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 8.8 ptm180 -172.37 153.93 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.042 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.12 120.68 11.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.01 1.3 67.44 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.766 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -99.35 160.71 19.83 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.63 161.43 27.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.366 0.583 . . . . 0.0 111.369 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -118.34 142.37 47.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.189 173.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -126.93 102.82 7.17 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.7 t -104.33 106.18 16.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 7.8 tpt180 -82.03 93.47 6.99 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.1 mtp -100.77 113.1 25.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.127 0.489 . . . . 0.0 109.964 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.488 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 54.1 mt-10 -128.14 161.52 29.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.91 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -80.41 153.59 28.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.9 mttm . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.953 177.866 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -162.27 148.76 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.2 p-10 -93.96 113.75 25.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.687 0.756 . . . . 0.0 110.589 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -89.77 117.61 28.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.202 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.03 143.26 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.38 157.01 27.03 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 m -111.83 131.79 55.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.181 0.491 . . . . 0.0 111.069 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -77.59 114.32 16.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.3 p -92.65 -39.31 11.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 10.0 ttmm -132.61 130.7 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.277 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.17 107.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.977 0.417 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.4 p -115.96 105.75 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.581 0.705 . . . . 0.0 109.311 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.3 tt0 -57.61 140.31 51.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.109 -172.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 67.46 12.05 8.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.05 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HB2' HG13 ' A' ' 74' ' ' VAL . 68.0 mttm -128.35 -75.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.278 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 20.8 ptt180 -157.77 152.56 25.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 112.41 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.0 mt -117.05 127.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.191 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 34.4 tt0 -118.81 119.77 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 38.9 p90 -134.2 155.03 50.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.004 0.431 . . . . 0.0 110.851 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.92 137.54 54.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.913 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.67 107.18 9.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.465 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.31 -130.28 29.24 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.15 1.45 56.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.904 0.383 . . . . 0.0 110.997 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -103.98 166.2 10.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t -147.11 151.46 36.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.26 125.0 18.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -113.59 117.4 31.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.273 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 103' ' ' VAL . 48.7 t -101.87 111.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.352 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 78' ' ' ARG . 28.3 mt-10 -106.45 134.66 49.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.63 102.66 12.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.492 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 82.9 mt -87.37 107.84 18.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.947 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 105.6 4.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.02 162.72 18.76 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.257 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.6 Cg_endo -59.82 -26.01 81.01 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.472 2.114 . . . . 0.0 112.961 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -91.89 -17.96 24.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.691 0.281 . . . . 0.0 111.532 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.27 -160.84 30.44 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 13' ' ' VAL . 58.7 t -108.14 123.71 63.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 117.366 0.583 . . . . 0.0 110.92 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 24.2 m -93.69 116.21 28.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.224 178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.9 t -87.32 106.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.12 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 60.4 ttt-85 -105.65 111.74 24.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.166 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 90' ' ' VAL . 46.0 t -107.16 113.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.813 0.34 . . . . 0.0 110.951 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.2 m -108.0 107.11 17.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.516 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -125.23 149.27 48.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.052 0.453 . . . . 0.0 111.429 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -86.58 114.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.306 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -119.38 149.37 41.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.371 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 111' ' ' TYR . 1.9 mp0 -73.3 151.05 41.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.984 0.421 . . . . 0.0 110.771 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.74 -9.58 55.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.97 -37.86 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.673 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 108' ' ' GLU . 95.5 m-85 -78.33 148.16 73.62 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.09 102.3 0.08 OUTLIER 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.639 2.226 . . . . 0.0 112.478 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.6 t -55.64 -36.49 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -54.79 -52.12 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.879 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.0 -30.59 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.193 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.6 -50.77 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.349 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.97 -41.92 88.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.67 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.6 36.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.104 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -66.37 -37.08 84.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.711 0.291 . . . . 0.0 111.055 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.72 -34.25 77.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.78 97.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.91 -41.28 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.48 -43.46 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -68.16 -38.74 82.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.815 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -62.39 -46.01 90.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 131' ' ' VAL . 66.8 t80 -60.83 -46.64 89.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.85 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 61.1 tttp -54.08 -58.51 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.122 0.264 . . . . 0.0 110.79 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.96 -34.2 69.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.029 0.443 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.492 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 45.0 t60 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.783 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' A' ' 134' ' ' HIS . 48.4 t -80.64 -35.08 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 47.5 mm-40 -58.61 -33.54 70.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.252 0.549 . . . . 0.0 109.83 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 m -91.35 -7.78 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 131' ' ' VAL . 0.3 OUTLIER -85.66 -13.67 47.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.967 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.798 176.254 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -127.28 124.77 39.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 63.1 mt -102.46 143.68 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 m -125.47 112.01 15.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.219 0.533 . . . . 0.0 110.823 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.36 159.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.973 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -155.38 160.13 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.213 0.53 . . . . 0.0 111.882 -178.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 12.5 t -156.66 123.25 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.068 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 32.8 m -90.12 104.67 17.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.1 0.476 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.8 t -84.35 138.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.9 11.9 6.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 111.591 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -105.61 152.73 40.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.114 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.28 149.84 83.4 Favored 'Trans proline' 0 C--O 1.239 0.545 0 C-N-CA 122.699 2.266 . . . . 0.0 112.042 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.09 -27.2 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.405 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.26 83.97 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -85.11 -39.41 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.693 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.45 -43.79 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 58.4 t-105 -60.36 -47.67 85.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.062 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -73.29 -36.18 66.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.116 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.69 81.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.834 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -81.01 -10.92 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -118.36 3.87 11.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 26' ' ' ILE . 85.2 m -104.22 103.39 38.32 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.9 Cg_endo -51.48 -41.3 60.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.672 2.915 . . . . 0.0 113.605 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.88 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.569 0.224 . . . . 0.0 111.378 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.05 -39.69 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.529 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 83.7 mt -52.64 -43.71 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -56.21 -18.19 9.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.297 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -90.74 -28.12 18.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 53.0 p-90 -116.56 -12.31 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -78.39 90.38 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.254 0.55 . . . . 0.0 110.818 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.734 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.62 -36.66 12.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' ' HD1' ' A' ' 36' ' ' TRP . 30.8 m -118.56 143.68 46.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.52 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.19 -18.5 61.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.45 -8.99 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' HG3' ' A' ' 55' ' ' MET . 71.5 m95 -111.07 165.29 12.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.935 0.398 . . . . 0.0 110.361 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.44 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.0 p80 -163.13 148.24 11.51 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -80.07 114.8 19.25 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.75 -41.89 17.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.49 . . . . 0.0 110.796 -177.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -138.41 119.5 14.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.677 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.28 103.74 10.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.386 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -108.82 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.59 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 26' ' ' ILE . 96.0 t -133.62 115.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.762 -175.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -110.02 103.19 11.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.041 0.448 . . . . 0.0 109.933 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.0 tp -76.86 102.78 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.54 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -172.98 151.56 2.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.469 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 30.2 mt-10 -70.92 106.7 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.04 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.41 -8.34 26.52 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -172.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.84 176.07 52.02 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.23 164.89 28.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 117.246 0.523 . . . . 0.0 111.031 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -127.78 152.23 48.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.502 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -140.69 104.09 4.65 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.634 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -106.94 110.57 22.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.767 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HB3' ' H ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -81.8 94.37 7.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.602 ' HG3' ' CE3' ' A' ' 36' ' ' TRP . 54.9 tpp -84.76 113.6 21.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 33.4 tt0 -130.15 152.38 49.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -174.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.66 50.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.4 mttp . . . . . 0 C--N 1.328 -0.333 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.717 0 N-CA-C 112.592 -0.203 . . . . 0.0 112.592 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.94 147.54 29.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.773 0.32 . . . . 0.0 110.331 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.14 110.26 19.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.845 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -85.95 107.1 17.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.42 147.45 42.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.429 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 162.04 34.64 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.9 m -110.41 133.88 52.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.124 0.462 . . . . 0.0 110.96 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 92.9 m-85 -75.21 104.85 5.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -83.88 -37.02 22.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.363 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -143.57 120.75 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 72.2 t -130.15 105.93 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.38 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -115.33 118.39 58.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.4 tt0 -64.77 135.09 55.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.865 -169.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 68.53 15.48 9.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.412 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.824 ' HB2' HG13 ' A' ' 74' ' ' VAL . 75.7 mmtt -125.77 -70.2 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -157.81 152.37 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 111.073 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.9 mt -118.77 108.41 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.506 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 40.9 mt-10 -105.26 110.83 23.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.781 0.324 . . . . 0.0 110.405 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 28.2 p90 -121.33 137.75 54.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.161 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -124.87 140.65 52.73 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.844 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -123.67 96.1 4.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.19 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.08 -115.7 4.38 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.041 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.58 -12.51 22.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.794 0.806 . . . . 0.0 109.765 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -105.09 125.82 51.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.681 -172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.7 t -124.04 149.6 45.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -124.19 121.02 33.95 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.51 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 33.8 ttpt -112.85 116.45 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.19 0.519 . . . . 0.0 110.948 -174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.23 110.14 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.03 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HG3' ' HG2' ' A' ' 89' ' ' LYS . 29.7 mt-10 -106.73 133.58 51.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.974 0.416 . . . . 0.0 110.205 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -101.0 110.79 22.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.253 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.551 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.6 mt -96.7 104.22 16.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.184 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.27 107.35 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.94 162.73 18.8 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.073 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.22 -27.89 72.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.163 1.909 . . . . 0.0 112.742 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -107.11 19.11 20.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.847 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.13 -153.6 23.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.62 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.35 112.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.673 0.273 . . . . 0.0 110.432 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 48.7 m -84.67 102.98 13.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.088 0.47 . . . . 0.0 110.12 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.7 t -82.68 106.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.884 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 102' ' ' ARG . 46.9 ttp85 -106.19 119.59 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.052 0.454 . . . . 0.0 110.313 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -104.02 119.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -107.87 108.17 19.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 46.2 p90 -127.51 147.79 50.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.019 0.438 . . . . 0.0 110.978 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.65 137.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.877 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.423 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -134.22 147.29 50.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.269 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.64 146.61 24.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.1 p -81.43 -10.79 59.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.45 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -66.46 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.746 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.94 152.96 38.69 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.912 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.532 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 50.7 Cg_exo -55.76 107.56 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.731 2.287 . . . . 0.0 112.536 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.2 t -54.63 -40.44 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.649 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.8 -50.2 71.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.625 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.3 -21.7 63.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.086 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 47.7 mt-30 -76.6 -48.9 17.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.53 -53.01 63.05 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.786 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.127 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.85 -53.35 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.525 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -68.65 -36.72 78.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.712 0.291 . . . . 0.0 110.868 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.31 -39.61 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.119 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.05 91.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.67 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.116 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 72.0 mt -68.53 -31.98 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.31 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.7 -45.09 79.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 63.4 t30 -70.62 -34.08 71.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.877 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 131' ' ' VAL . 87.6 t80 -59.34 -51.76 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.162 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -54.03 -54.33 40.73 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 5.9 ptp180 -62.51 -31.15 71.87 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 -176.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.26 -39.45 28.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.238 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 96.5 t -67.55 -40.79 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.427 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -73.85 -18.74 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.032 0.444 . . . . 0.0 110.518 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -78.44 -13.38 59.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.999 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 2.4 m-70 -77.05 -19.5 57.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.042 0.449 . . . . 0.0 110.037 174.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.804 -177.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -82.34 104.59 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.38 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -91.23 119.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.566 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 m -108.62 110.4 21.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.14 0.495 . . . . 0.0 110.749 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.07 156.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.713 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -136.23 165.81 24.89 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 110.533 -179.167 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.6 ' OG1' ' HB3' ' A' ' 124' ' ' LEU . 1.2 m -158.7 115.08 2.71 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.485 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -86.08 111.4 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.064 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.2 t -101.81 141.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 174.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.44 -14.65 58.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 0.0 111.419 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.477 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -76.04 145.5 77.35 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.553 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.31 160.2 46.4 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 122.856 2.37 . . . . 0.0 112.223 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.14 -27.81 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.836 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.86 -33.77 74.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.563 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -85.64 -44.57 12.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 0.0 110.411 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.67 -43.85 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.238 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 63.4 t-105 -59.49 -45.88 90.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -71.31 -41.86 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.39 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 22.3 t80 -79.19 -16.97 55.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.206 -176.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -112.26 -7.49 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.568 ' O ' HG13 ' A' ' 26' ' ' ILE . 41.7 m -96.08 111.75 57.32 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.429 -0.169 . . . . 0.0 110.943 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 17.7 Cg_endo -56.56 -36.31 97.76 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.143 2.562 . . . . 0.0 112.885 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.55 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.972 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.443 ' HA ' HE21 ' A' ' 28' ' ' GLN . 18.9 t70 -91.74 -34.72 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.072 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 22' ' ' THR . 71.2 mt -54.9 -39.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.55 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 59.3 mtmt -61.25 -10.49 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 25' ' ' ASP . 49.4 mt-30 -98.64 -35.09 10.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 53.5 p-90 -105.44 -10.77 16.74 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.402 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 3.3 t-20 -76.27 -3.01 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.325 0.584 . . . . 0.0 110.716 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.32 117.0 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.19 68.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.056 0.455 . . . . 0.0 111.106 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -153.81 164.84 37.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.79 -33.81 68.95 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -76.93 -6.92 54.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -116.95 148.72 41.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -148.04 154.16 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 0.0 111.399 -179.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.468 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 11.5 m -90.3 108.67 19.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -29.06 31.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -172.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -154.91 144.43 21.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.046 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.21 18.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.875 0.369 . . . . 0.0 110.959 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.8 m -135.17 118.84 17.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.489 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.1 t -123.45 132.65 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -172.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -122.02 102.08 7.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -84.29 97.69 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.861 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -172.75 159.43 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.539 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 72' ' ' LYS . 2.2 mp0 -68.2 104.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.0 -4.13 25.61 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.691 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.65 148.6 19.05 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -113.33 161.8 16.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.089 0.471 . . . . 0.0 111.169 -177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' HB2' HG22 ' A' ' 43' ' ' VAL . 44.7 p90 -131.36 142.42 50.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.461 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -120.45 125.8 48.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 t -125.21 118.03 25.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 54' ' ' ARG . 7.3 tpt180 -86.22 93.49 9.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.775 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 ttm -97.65 113.51 25.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HD2' ' A' ' 37' ' ' HIS . 46.1 mt-10 -135.17 165.6 25.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.19 144.73 26.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' ' HB3' ' A' ' 37' ' ' HIS . 53.2 mtpt . . . . . 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.402 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.79 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -149.07 153.72 38.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.064 0.459 . . . . 0.0 110.963 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.07 100.57 13.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.624 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -92.54 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.525 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.68 147.58 49.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -155.17 150.51 22.02 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.82 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 45.9 m -112.06 130.32 55.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 110.893 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -71.14 121.3 18.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -85.63 -38.68 18.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 6.2 mmtt -154.31 128.84 9.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.367 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -126.78 111.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.79 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.744 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.0 p -110.72 121.91 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tt0 -66.38 132.47 48.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.097 -167.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 m120 67.26 18.5 10.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.835 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.744 ' HB2' HG13 ' A' ' 74' ' ' VAL . 25.5 mmtp -128.49 -73.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.625 0.25 . . . . 0.0 111.257 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -153.24 149.22 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.473 . . . . 0.0 111.012 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -116.54 115.4 48.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.562 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.506 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 44.0 mt-10 -111.48 117.7 33.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.892 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.92 150.38 49.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -114.56 116.91 29.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.371 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 20.3 p90 -101.47 109.13 20.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.204 0.526 . . . . 0.0 109.965 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -115.24 7.54 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.253 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -98.64 0.84 45.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.738 0.304 . . . . 0.0 111.032 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HG2' HG13 ' A' ' 106' ' ' VAL . 7.8 mtm180 -118.12 179.28 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 12.4 t -153.28 156.63 38.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.953 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.16 139.27 41.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.172 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 19.6 ttmm -112.8 111.66 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.11 112.46 39.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.335 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 102' ' ' ARG . 38.7 mt-10 -106.87 136.53 46.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.393 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.77 102.91 13.08 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.34 103.84 13.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.225 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.558 ' HG2' HG22 ' A' ' 99' ' ' VAL . 46.3 mt-10 -66.55 119.52 11.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.404 0.621 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.41 164.99 13.77 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.645 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.0 Cg_endo -60.39 -17.83 49.7 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.264 1.976 . . . . 0.0 112.408 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.09 3.94 26.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.689 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.32 -132.63 4.55 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.538 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 94' ' ' GLU . 97.9 t -132.28 127.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.918 0.39 . . . . 0.0 110.288 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.7 m -93.21 113.67 25.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.344 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.1 t -84.36 107.71 15.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 37.6 ttt180 -99.99 109.25 21.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.993 -176.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -109.66 107.46 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.907 0.384 . . . . 0.0 110.744 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 t -111.23 106.24 15.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -120.42 151.43 39.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.169 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 86' ' ' ARG . 4.9 p -84.55 113.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.715 0.769 . . . . 0.0 110.235 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -107.49 147.81 30.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.868 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -75.97 143.01 41.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.958 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.5 1.54 41.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.255 0.55 . . . . 0.0 110.548 173.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -75.41 -23.66 57.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.688 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -110.34 149.42 40.15 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.985 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 130.12 33.97 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.459 2.106 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.45 -40.21 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.2 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 mp0 -55.39 -53.59 54.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.598 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.56 -45.3 93.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.682 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.85 -39.33 93.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.61 -51.39 62.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 -33.99 77.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.358 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.3 47.42 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.999 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -70.25 -33.85 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.57 -40.86 98.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.446 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.56 -42.42 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.6 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 36.9 mt -64.64 -35.42 80.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.5 -39.31 85.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.754 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 43.6 t30 -69.19 -42.62 75.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 131' ' ' VAL . 92.5 t80 -55.39 -51.71 65.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.582 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.498 ' CE ' HG23 ' A' ' 7' ' ' THR . 39.4 ttmt -50.29 -53.11 30.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -67.37 -35.94 80.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.1 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -71.54 -33.08 68.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.475 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.9 t -78.75 -33.1 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -27.06 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.294 0.569 . . . . 0.0 110.112 171.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.5 m -84.4 5.36 27.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -110.37 13.46 22.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.136 0.493 . . . . 0.0 110.082 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 11' ' ' ALA . 87.7 mt . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.232 177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -115.15 137.22 52.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.199 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.1 mt -106.11 110.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.0 m -98.66 110.55 23.13 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.253 0.549 . . . . 0.0 110.536 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.6 m -116.17 145.23 22.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.376 176.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 9.6 pt-20 -151.3 153.55 35.03 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.208 0.527 . . . . 0.0 111.48 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -144.84 141.17 28.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.257 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 18.0 m -101.52 111.99 24.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.693 0.283 . . . . 0.0 110.736 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 11' ' ' ALA . 12.1 t -98.39 130.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.066 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -3.84 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 15' ' ' LYS . . . -84.09 152.33 61.73 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.51 162.2 35.0 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.426 2.084 . . . . 0.0 111.785 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.18 -24.22 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.352 -175.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.35 -43.31 98.75 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.569 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 mttm -72.55 -44.45 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.162 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.01 -48.15 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.342 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -57.49 -44.52 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.98 0.419 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -73.74 -44.06 57.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.372 -173.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.19 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 111.674 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -86.37 -21.99 26.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.706 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -104.01 -25.22 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' HG13 ' A' ' 26' ' ' ILE . 56.5 m -72.31 114.76 32.45 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.46 0.172 . . . . 0.0 110.838 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.2 Cg_exo -54.08 -35.67 82.42 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.176 2.584 . . . . 0.0 113.175 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.27 -37.13 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.5 -40.0 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 22' ' ' THR . 74.8 mt -53.2 -44.51 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.171 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.7 mtmt -65.77 -8.15 19.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.754 0.311 . . . . 0.0 111.829 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -94.66 -40.0 10.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 46.3 p-90 -106.88 -17.87 14.08 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -81.08 93.71 6.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.126 0.489 . . . . 0.0 110.912 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.87 122.73 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.762 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.26 60.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.23 0.538 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -153.61 163.1 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.632 ' O ' ' HE2' ' A' ' 58' ' ' LYS . 16.2 t70 -64.64 -30.57 71.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 0.0 110.437 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.28 -22.67 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.128 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -107.27 156.19 19.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.251 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.69 156.36 36.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.243 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.542 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 32.7 m -86.8 113.13 22.36 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -41.44 19.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.215 0.531 . . . . 0.0 110.873 -173.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.32 120.34 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.65 112.91 21.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.2 m -112.05 113.31 25.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.768 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 75.4 t -125.32 116.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.152 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -102.48 91.37 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 104.23 6.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.631 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 46' ' ' ARG . 19.7 ptt-85 -169.28 160.84 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.606 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.31 113.02 11.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.59 -2.76 39.38 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.67 173.1 39.81 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.666 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.6 35.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.008 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -137.3 154.06 50.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.001 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -139.95 117.03 11.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -118.31 120.83 38.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.65 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 56' ' ' GLU . 18.1 mmm180 -83.55 98.09 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 45.9 ttm -96.57 111.93 23.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 38.5 mt-10 -135.8 164.29 28.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.963 0.411 . . . . 0.0 110.607 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.86 156.57 24.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HE2' ' O ' ' A' ' 34' ' ' ASP . 65.2 mttm . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.838 0.351 . . . . 0.0 111.509 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.723 0 N-CA-C 111.974 -0.45 . . . . 0.0 111.974 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -141.81 162.39 35.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.665 0.269 . . . . 0.0 110.332 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.7 113.26 26.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 110.218 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -90.19 107.13 18.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.97 136.8 55.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.98 172.34 31.99 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.842 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -116.52 131.1 57.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.531 0.205 . . . . 0.0 110.642 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -77.12 105.78 8.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -90.94 -13.07 34.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.818 0.342 . . . . 0.0 111.331 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.918 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -147.21 117.63 7.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 176.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.01 106.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.429 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.5 p -128.92 118.66 47.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.484 0.659 . . . . 0.0 110.166 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.45 136.7 58.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.974 -172.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.04 6.46 5.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.442 175.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.544 ' HB3' HG13 ' A' ' 74' ' ' VAL . 57.2 tttp -120.69 -76.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.545 -177.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 HH21 ' HD3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -158.82 165.09 35.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.927 0.394 . . . . 0.0 111.878 -173.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -132.99 128.16 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.162 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.918 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.9 mt-10 -117.32 130.55 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.67 143.19 34.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.466 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.66 144.95 44.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.578 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -135.96 99.56 4.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 109.679 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.44 -113.52 5.38 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.145 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.1 -28.58 19.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.07 0.462 . . . . 0.0 110.785 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 8.3 mpt_? -98.19 151.63 20.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 -172.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.6 t -137.22 147.9 46.14 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.78 132.06 55.51 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.546 ' HE2' ' OE2' ' A' ' 80' ' ' GLU . 38.7 ttmt -112.8 111.03 21.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.057 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -110.21 111.69 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.095 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.91 134.77 54.35 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.33 104.1 16.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -104.17 106.6 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.356 -175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 42.3 tt0 -74.8 108.77 7.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.22 0.534 . . . . 0.0 110.827 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.91 166.94 10.21 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.75 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.9 Cg_endo -66.37 -8.75 21.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.29 1.993 . . . . 0.0 111.78 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.9 -4.44 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.968 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.94 16.34 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 61.9 t -79.26 115.97 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.181 0.515 . . . . 0.0 109.98 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.0 m -90.48 108.37 19.75 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.359 -178.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.8 t -82.6 105.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -105.07 116.48 32.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.322 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG22 HG13 ' A' ' 90' ' ' VAL . 48.3 t -112.91 110.13 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -112.38 112.83 24.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 44.5 p90 -122.0 150.43 42.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.7 122.41 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.841 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.4 147.24 50.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 -175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' CD ' ' HE ' ' A' ' 86' ' ' ARG . 4.9 mp0 -78.84 146.32 33.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -91.17 -13.44 32.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.41 ' OE1' ' HB3' ' A' ' 108' ' ' GLU . 1.6 pm0 -71.39 -29.57 65.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -82.79 141.34 44.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.592 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 34.3 Cg_exo -57.7 106.05 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.663 2.242 . . . . 0.0 112.867 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.21 -34.85 50.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.84 -47.23 67.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.575 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.32 -41.19 85.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 44.3 mt-30 -68.72 -50.52 50.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.732 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.1 -52.31 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.16 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -64.18 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.288 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.04 -52.79 38.25 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.014 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.5 m95 -68.29 -36.01 78.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.523 0.201 . . . . 0.0 111.308 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -41.18 98.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.41 96.35 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.551 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 119' ' ' GLY . 84.1 mt -60.13 -45.07 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.31 -42.32 88.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.328 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 80.5 m-20 -66.61 -40.31 88.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 66.7 t30 -64.38 -39.15 93.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 131' ' ' VAL . 64.0 t80 -59.59 -50.1 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.394 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -54.8 -49.07 71.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.293 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 64.2 mtp180 -67.38 -34.56 77.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.67 -36.4 74.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.796 0.331 . . . . 0.0 110.366 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.534 HG12 HD23 ' A' ' 135' ' ' LEU . 47.0 t -81.93 -57.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.099 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.18 -17.65 64.39 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 p -56.94 -34.86 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.706 0.289 . . . . 0.0 111.767 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -141.76 -33.57 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 131' ' ' VAL . 81.8 mt . . . . . 0 N--CA 1.473 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 113.153 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.922 0.392 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.46 114.33 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.476 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 104' ' ' SER . 67.1 mt -94.18 136.36 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.1 m -118.11 111.48 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.0 111.118 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -115.61 137.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -150.08 154.87 38.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.935 0.398 . . . . 0.0 111.488 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 145.98 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.633 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.8 m -94.8 117.98 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -99.85 143.22 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.17 7.82 5.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.343 . . . . 0.0 111.762 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -91.82 148.64 37.51 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.732 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 12.7 Cg_exo -69.4 154.03 69.73 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.828 2.352 . . . . 0.0 111.48 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.56 -29.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.54 88.95 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.088 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -84.52 -41.25 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.675 0.274 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.11 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.487 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 45.9 t-105 -55.66 -49.32 73.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.87 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.38 -43.44 81.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.326 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.6 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 111.062 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -83.96 -14.45 50.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.015 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.545 ' HB ' HD22 ' A' ' 45' ' ' LEU . 22.8 p -120.65 0.37 10.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.8 m -102.38 107.7 54.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 122.225 -0.297 . . . . 0.0 110.583 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.12 -28.5 79.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.762 2.308 . . . . 0.0 113.012 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.85 -37.8 85.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.07 -34.38 15.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.09 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 71.0 mt -53.71 -42.41 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.795 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.4 -13.74 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.356 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.543 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 59.9 p-90 -131.42 -11.62 3.56 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.4 89.07 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.075 0.464 . . . . 0.0 110.643 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -173.54 135.67 0.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.665 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.47 0.13 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 0.0 110.396 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -145.02 147.12 32.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.215 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.9 -30.61 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.548 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.23 -23.47 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.733 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -100.05 144.25 29.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.158 0.504 . . . . 0.0 111.144 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -147.28 154.08 40.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.845 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -89.32 121.03 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.686 0.279 . . . . 0.0 110.468 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 p -84.0 -42.28 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 0.0 111.253 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.54 145.5 30.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.833 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -149.15 100.8 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -95.3 113.57 25.26 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.8 t -114.67 125.56 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.18 -176.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.24 100.9 9.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.7 tp -87.03 94.15 9.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.936 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -167.95 165.98 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' OE2' ' HG3' ' A' ' 72' ' ' LYS . 44.1 mt-10 -67.45 106.15 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.91 4.64 39.02 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.236 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.81 158.07 23.18 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.77 151.61 49.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.0 p90 -117.04 142.03 47.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 44.8 m -130.97 106.02 8.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.42 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.8 p -116.56 118.73 33.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.261 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 53.5 mtp180 -89.5 106.77 18.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.7 mtp -92.48 113.74 26.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.103 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 49.3 mt-10 -125.0 147.63 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.528 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.46 141.35 44.98 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? . . . . . 0 C--N 1.324 -0.52 0 CA-C-O 121.004 0.43 . . . . 0.0 110.185 -177.845 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.787 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.08 170.91 14.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.041 0.421 . . . . 0.0 110.768 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.518 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 12.5 p-10 -117.6 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.359 0.599 . . . . 0.0 110.166 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -93.34 124.04 37.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.52 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.99 124.13 41.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.37 138.71 10.37 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -109.05 125.91 52.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.881 0.341 . . . . 0.0 110.556 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -71.05 116.75 11.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.095 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -83.83 -33.94 24.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.142 0.496 . . . . 0.0 110.147 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 21.7 ttmm -155.46 145.99 22.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -135.22 115.81 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.317 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 78' ' ' ARG . 2.8 p -117.81 109.39 27.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.663 0.744 . . . . 0.0 109.652 175.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 43.1 tt0 -58.95 131.61 51.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.357 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 68.77 10.84 8.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.394 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.23 -68.09 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.917 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 90' ' ' VAL . 23.0 ptt180 -158.96 170.62 21.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.876 0.37 . . . . 0.0 111.252 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.1 mt -131.81 129.88 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.482 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.417 ' CD ' ' HE ' ' A' ' 78' ' ' ARG . 1.5 mt-10 -114.55 122.55 46.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.203 176.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -144.53 158.82 43.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 111.125 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -129.25 147.23 51.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -133.31 110.59 10.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.9 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.85 -104.13 1.57 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.695 -176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -122.0 -2.86 9.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.455 0.645 . . . . 0.0 110.107 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -103.61 137.19 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.647 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.3 t -117.35 152.19 35.45 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 120.777 0.322 . . . . 0.0 110.222 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.23 134.07 47.82 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 89' ' ' LYS . 34.7 ttpt -112.79 111.97 23.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.872 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.3 t -102.65 115.21 44.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.099 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 102' ' ' ARG . 32.0 mt-10 -105.93 134.09 49.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -101.06 102.94 14.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 102' ' ' ARG . 68.0 mt -94.93 100.56 12.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -72.88 106.24 4.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.56 165.38 13.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.97 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 14.3 Cg_endo -57.58 -31.42 91.67 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.694 2.263 . . . . 0.0 112.63 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.69 -43.79 18.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.024 0.44 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.22 -174.95 46.83 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -90.36 114.82 28.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.431 0.634 . . . . 0.0 110.481 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 65.6 m -86.19 113.49 22.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.234 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.36 114.2 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.576 ' HD2' HD11 ' A' ' 93' ' ' LEU . 30.1 ttt180 -111.63 123.77 50.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.761 -173.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.65 107.2 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.785 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 47.4 m -103.91 104.89 14.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -118.96 150.0 40.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.62 110.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.262 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.92 138.02 31.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.833 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -92.92 129.48 38.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.998 0.428 . . . . 0.0 110.376 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -70.9 -15.27 62.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.369 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.28 6.95 40.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -134.27 155.61 79.73 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 115' ' ' GLN . 71.7 Cg_exo -50.12 104.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.736 2.29 . . . . 0.0 112.361 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.39 -42.71 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.847 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 52.6 mm-40 -62.02 -44.96 95.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 21.2 tp60 -69.32 -33.48 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.946 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.417 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 47.8 mt-30 -61.6 -46.87 87.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 3' ' ' ILE . 34.8 tt0 -59.57 -51.68 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.825 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 96.9 mt-30 -61.1 -37.5 82.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.276 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.05 -54.33 38.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.728 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.417 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 83.8 m95 -66.27 -34.6 78.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.618 0.247 . . . . 0.0 110.841 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.12 -37.64 86.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.317 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.85 96.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.486 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.21 -43.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.213 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.21 -36.49 82.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.581 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -69.69 -42.44 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.531 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.97 -41.34 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 131' ' ' VAL . 90.7 t80 -56.9 -53.09 61.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.728 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.37 -50.28 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.364 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -60.92 -40.02 91.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.935 0.398 . . . . 0.0 110.789 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -65.89 -49.75 66.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.613 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 85.5 t -61.95 -47.58 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.482 -175.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.08 -35.66 80.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.729 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.0 m -71.91 -19.41 61.93 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.435 0.636 . . . . 0.0 110.267 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -81.11 -22.2 39.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.454 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 131' ' ' VAL . 24.4 mt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.229 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -119.5 126.3 50.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.17 125.19 67.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.3 m -114.18 111.75 22.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.4 m -119.04 135.12 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.265 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' ARG . 12.1 pt-20 -136.92 161.53 35.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 145.64 30.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.812 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -102.38 119.84 39.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.879 0.371 . . . . 0.0 110.46 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 11' ' ' ALA . 34.7 t -107.1 139.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 11.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -103.24 147.96 34.95 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.851 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -65.22 155.38 68.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.939 2.426 . . . . 0.0 112.165 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.58 -30.71 47.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.95 -173.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.29 -39.36 95.96 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.155 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.79 -38.1 29.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.734 0.302 . . . . 0.0 110.345 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.77 -45.32 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.535 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 65.4 t-105 -55.14 -46.67 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.55 -47.1 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.67 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.96 67.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.698 0.285 . . . . 0.0 111.347 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.95 -16.29 36.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.375 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 p -115.41 -16.82 11.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' ILE . 44.1 m -79.1 111.28 18.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.613 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 88.6 Cg_exo -49.61 -42.79 41.79 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.352 2.701 . . . . 0.0 113.158 -175.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 46.8 mt-10 -59.32 -46.35 88.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.141 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.05 -37.01 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 22' ' ' THR . 65.3 mt -53.95 -44.02 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 10.2 mtmp? -58.13 -18.39 24.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.88 -28.33 21.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.647 0.261 . . . . 0.0 111.284 -175.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.646 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 53.0 p-90 -117.51 -7.91 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.44 6.24 15.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.961 0.41 . . . . 0.0 111.427 -174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.73 124.6 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.4 7.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.454 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -124.27 171.29 9.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.035 -175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 0.58 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.422 0.629 . . . . 0.0 110.624 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.44 -23.02 20.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.293 0.568 . . . . 0.0 110.009 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.9 m95 -110.8 164.26 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.562 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -159.03 145.05 16.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.568 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -81.62 109.79 16.37 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -40.02 21.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.474 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.93 142.31 23.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.824 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -143.82 99.82 3.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.872 0.368 . . . . 0.0 110.701 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -99.89 114.27 27.38 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.822 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 51' ' ' PHE . 84.4 t -121.7 124.18 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -175.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -107.72 96.44 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.8 tp -76.5 99.11 4.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.401 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -167.84 142.34 3.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.348 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.48 112.55 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.09 1.42 38.8 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.882 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -155.26 29.82 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.18 34.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.157 0.479 . . . . 0.0 111.263 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.528 ' HB2' HG22 ' A' ' 43' ' ' VAL . 29.8 p90 -135.43 160.05 39.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.93 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -144.85 112.74 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.535 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -111.34 114.5 27.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.062 0.458 . . . . 0.0 110.307 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.7 97.33 9.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.4 mtt -93.26 114.82 27.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.482 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -122.35 147.73 45.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.746 0.307 . . . . 0.0 110.326 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -68.44 150.85 47.63 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 mttm . . . . . 0 C--N 1.321 -0.647 0 CA-C-O 120.58 0.229 . . . . 0.0 111.555 -176.594 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.684 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.04 149.87 34.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -100.44 111.64 23.92 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.537 0.684 . . . . 0.0 109.808 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -78.29 106.07 9.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.2 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.6 127.56 55.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.66 138.48 9.48 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.056 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.3 m -92.34 124.88 36.72 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -71.26 103.86 2.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.428 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 p -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.673 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 26.3 mmtp -143.65 129.4 19.32 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.011 174.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.96 100.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.905 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.584 HG11 ' HD3' ' A' ' 77' ' ' LYS . 39.3 t -113.49 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.54 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 31.1 tt0 -58.94 128.34 36.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.226 -174.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.26 15.12 9.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.366 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HD3' HG11 ' A' ' 74' ' ' VAL . 57.9 tttp -129.79 -64.73 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.905 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 9.8 ptm85 -155.43 144.01 20.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.274 0.559 . . . . 0.0 111.897 -171.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.32 119.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.327 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 40.9 mt-10 -125.59 129.23 49.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.966 0.413 . . . . 0.0 110.216 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -144.3 154.9 43.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.651 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -114.26 140.55 48.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -137.09 111.06 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.223 0.535 . . . . 0.0 109.761 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.96 -112.9 5.04 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.761 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.82 -11.2 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.438 . . . . 0.0 110.43 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 41.5 mtm180 -108.22 158.03 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.047 -174.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.2 t -133.65 156.67 47.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.886 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.66 138.96 54.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.7 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -117.73 110.43 17.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -103.92 115.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.066 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.24 134.48 54.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -94.56 106.09 18.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.9 mt -103.55 134.87 46.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -94.08 117.44 30.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.333 0.587 . . . . 0.0 112.241 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -106.78 154.9 39.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -63.47 -33.44 68.85 Favored 'Trans proline' 0 CA--C 1.521 -0.172 0 C-N-CA 122.202 1.935 . . . . 0.0 112.106 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 97' ' ' GLN . 3.1 pt20 -98.6 16.06 23.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.824 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 147.0 163.05 10.28 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.019 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.01 132.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.926 0.393 . . . . 0.0 110.163 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.7 m -105.06 119.93 40.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.62 106.77 17.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.629 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 22.2 ttt180 -99.77 111.99 24.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.77 107.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.347 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 t -106.06 104.94 14.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -118.11 149.59 40.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.143 0.497 . . . . 0.0 111.096 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.611 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 60.3 t -74.58 136.31 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.54 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -122.89 147.01 47.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.936 0.398 . . . . 0.0 110.982 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.98 134.63 34.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -171.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.53 -34.93 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 111.653 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.06 131.51 33.0 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.665 -171.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -44.69 118.74 1.97 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.778 2.985 . . . . 0.0 113.139 -176.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.88 -30.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.448 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -51.43 -54.1 30.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.973 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.78 -40.58 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.225 -176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -66.74 -44.12 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.961 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.887 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.2 -35.16 80.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.099 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.86 42.77 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.074 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.413 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.1 m95 -66.72 -35.35 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.193 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -62.06 -43.95 97.72 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.216 -0.193 . . . . 0.0 110.972 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.309 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.44 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.78 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.35 -40.28 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.511 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 22.2 m-80 -66.62 -37.81 85.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 110.6 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 56.1 t30 -69.48 -36.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.4 t80 -58.81 -48.05 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.002 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.29 -48.3 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.824 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 39.8 mmt180 -55.75 -49.1 74.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 0.0 110.305 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -63.94 -49.0 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.978 -175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 127' ' ' PHE . 61.2 t -64.13 -44.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 52.8 mt-10 -72.69 -18.49 61.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.301 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.9 m -87.72 -5.77 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.016 0.436 . . . . 0.0 110.418 173.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.12 -1.55 31.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.099 0.476 . . . . 0.0 109.864 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 11' ' ' ALA . 79.8 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.056 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -133.84 158.62 42.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.153 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.52 127.58 75.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.171 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.0 m -106.49 111.36 23.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.72 148.74 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.934 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 11.2 pt-20 -148.41 160.26 43.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.997 0.427 . . . . 0.0 111.597 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.18 142.09 18.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.389 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 34.0 m -97.31 118.48 33.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.913 0.387 . . . . 0.0 111.311 -176.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 128' ' ' LYS . 16.4 t -100.23 143.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.785 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.63 11.67 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 111.748 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -100.28 150.29 36.79 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.731 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 12.8 Cg_exo -68.14 153.84 73.83 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 111.95 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.31 -23.92 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.56 84.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.815 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.548 0.213 . . . . 0.0 110.829 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.95 -42.41 89.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 109.993 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.31 -53.04 61.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 18' ' ' ARG . 18.5 mtp180 -63.7 -44.68 92.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.684 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -91.6 -17.61 25.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 p -110.26 -16.32 13.77 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.8 m -89.88 117.6 68.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 122.308 -0.245 . . . . 0.0 110.878 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.17 -31.5 66.05 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.22 2.613 . . . . 0.0 112.791 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -33.53 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.24 -39.07 10.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.962 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 77.6 mt -51.73 -46.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.424 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -67.46 -8.53 34.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.854 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -91.75 -43.06 9.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.746 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 43.3 p-90 -100.16 -13.9 18.75 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 64.1 t30 -77.09 84.9 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.94 0.4 . . . . 0.0 110.75 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.96 124.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.126 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.25 -28.12 61.96 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 t -133.93 152.72 51.96 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.74 -8.57 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 111.015 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.65 -18.15 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 0.0 109.719 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 56.6 m95 -96.73 161.69 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.309 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.22 157.03 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 25.2 m -86.56 113.95 22.89 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -82.84 -32.2 27.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.029 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.72 135.16 17.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.981 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -150.78 116.19 5.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.996 0.427 . . . . 0.0 111.512 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -118.33 118.1 30.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.365 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 51' ' ' PHE . 59.5 t -118.94 122.7 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 111.088 -176.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.7 101.01 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.96 109.78 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.809 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -177.81 166.98 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.03 113.79 11.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.67 -4.81 50.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.68 162.29 35.86 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.66 160.27 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.053 0.454 . . . . 0.0 111.127 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 43' ' ' VAL . 53.1 p90 -129.4 141.74 50.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.941 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 16.3 m -119.82 115.0 22.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.897 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 p -128.09 110.46 12.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.849 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 12.3 ttp180 -96.21 110.53 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.566 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 38.6 ttm -99.46 119.33 37.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.655 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 66.5 mt-10 -125.38 158.53 34.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.98 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.449 -0.46 0 N-CA-C 112.561 -0.215 . . . . 0.0 112.561 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -150.89 156.04 40.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.7 0.25 . . . . 0.0 110.598 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.7 p-10 -101.19 120.11 39.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.597 0.713 . . . . 0.0 110.447 176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -107.38 118.62 37.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.31 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.53 154.23 21.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.634 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -118.34 125.81 50.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.906 0.353 . . . . 0.0 110.78 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -73.24 119.07 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.114 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.5 p -92.09 -36.0 13.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.726 0.298 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -147.49 128.04 14.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.976 0.417 . . . . 0.0 109.933 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.9 t -118.9 133.27 66.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 77' ' ' LYS . 43.8 t -130.66 112.96 23.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.21 132.31 51.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 0.0 111.066 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 67.27 18.83 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.485 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 mmtt -134.35 -70.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 0.0 111.974 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.716 HH22 ' HD2' ' A' ' 89' ' ' LYS . 10.2 ptm85 -154.4 145.23 22.52 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.0 112.117 -169.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.468 ' HB ' ' HB ' ' A' ' 90' ' ' VAL . 54.6 mt -119.94 111.13 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.254 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -111.3 112.54 24.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -137.25 151.66 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 111.117 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.29 144.3 44.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.16 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -129.73 112.98 14.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.398 0.618 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 -103.43 1.58 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.19 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -122.98 -1.95 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.763 0.316 . . . . 0.0 110.705 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -122.5 139.24 54.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.387 . . . . 0.0 111.046 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t -106.75 163.62 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.488 -174.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.72 145.56 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.946 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.716 ' HD2' HH22 ' A' ' 78' ' ' ARG . 39.7 mtmt -113.6 134.98 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 79' ' ' ILE . 61.6 t -112.89 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 168.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.99 133.3 53.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.013 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -102.83 104.51 14.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.029 0.443 . . . . 0.0 110.346 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 76.0 mt -90.45 110.89 21.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.305 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.97 111.59 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.26 159.56 29.68 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.501 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -21.42 67.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.257 1.971 . . . . 0.0 112.348 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -101.17 -1.23 34.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.605 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.19 -164.54 28.96 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.064 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.8 119.45 58.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 48.7 m -89.03 111.57 22.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.071 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -83.12 106.62 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.883 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -101.59 113.99 27.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 68.3 t -109.38 112.79 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.081 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t -110.12 106.89 16.53 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -119.74 142.82 48.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.59 122.19 24.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.65 148.16 24.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.867 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.28 118.69 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.471 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.4 p -71.99 -6.04 39.28 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.086 0.469 . . . . 0.0 111.268 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.55 2.97 48.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.663 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -129.13 150.96 76.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.145 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.18 140.36 88.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.712 2.274 . . . . 0.0 112.756 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.61 -42.09 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.692 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -47.28 -55.39 8.79 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.704 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.525 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.84 -38.57 83.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.5 -53.04 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.55 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.19 -33.88 75.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.884 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.467 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.73 -56.69 21.43 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.188 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -67.87 -34.42 76.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.646 0.26 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.55 -42.21 99.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.272 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.16 91.82 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 119' ' ' GLY . 82.8 mt -60.5 -43.82 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.394 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 103' ' ' VAL . 60.9 mt -64.28 -39.31 93.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.25 -37.47 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.09 -34.92 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 131' ' ' VAL . 76.2 t80 -58.58 -56.59 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 172.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 9' ' ' VAL . 79.4 tttt -53.21 -46.85 69.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -50.41 -54.59 20.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.085 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 80.3 t60 -68.98 -39.15 79.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 -176.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 127' ' ' PHE . 95.4 t -68.18 -41.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' HE3' ' A' ' 128' ' ' LYS . 77.9 mt-10 -69.39 -33.88 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.659 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.0 p -79.52 -2.24 41.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.158 0.504 . . . . 0.0 110.455 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 18.5 t-80 -93.43 -7.8 43.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.461 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.6 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.711 -178.238 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -118.74 117.93 30.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HG13 ' A' ' 113' ' ' VAL . 63.5 mt -88.85 130.16 38.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 m -107.7 110.03 21.77 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 121.28 0.562 . . . . 0.0 110.12 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.477 HG23 ' HB ' ' A' ' 103' ' ' VAL . 14.8 m -114.39 135.25 54.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 176.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.9 pt-20 -142.15 150.34 40.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 14.6 t -150.77 133.95 16.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.28 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 29.1 m -96.35 102.89 14.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.168 0.508 . . . . 0.0 110.611 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.19 141.0 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.426 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.37 12.15 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 111.915 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.19 148.43 35.92 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.524 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.18 155.62 64.06 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.86 2.374 . . . . 0.0 112.079 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.44 -30.23 47.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.668 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -61.92 -32.04 80.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.404 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -85.13 -39.69 17.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.739 0.304 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.467 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 69.8 mtt-85 -73.52 -40.76 63.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.209 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.53 70.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.094 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -82.41 -19.06 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 p -110.91 2.01 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.4 m -99.37 105.84 35.54 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.7 Cg_endo -52.64 -36.2 70.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.651 2.9 . . . . 0.0 113.074 -174.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 31.1 mt-10 -62.18 -38.94 90.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -82.55 -33.58 28.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.486 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 22' ' ' THR . 68.1 mt -55.24 -41.22 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.522 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 52.3 mtmt -57.47 -19.82 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 48.4 p-90 -111.04 -19.08 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.994 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -82.62 90.36 6.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.053 0.454 . . . . 0.0 110.467 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.47 105.32 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.08 -18.62 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.862 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -136.87 158.83 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.299 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.93 -31.3 72.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 19.6 m-20 -81.04 -16.57 52.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.425 -175.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.462 ' HE3' ' HG3' ' A' ' 55' ' ' MET . 80.3 m95 -114.05 146.79 39.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.82 -173.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -162.96 151.14 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.543 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 26.2 m -69.72 114.44 7.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.551 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -89.66 -42.64 11.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.064 0.459 . . . . 0.0 110.588 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.92 120.42 33.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.294 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.74 112.98 14.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -119.97 113.16 20.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 51' ' ' PHE . 90.2 t -120.48 116.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.868 -175.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -98.01 98.98 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -80.9 99.35 8.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.289 0.566 . . . . 0.0 110.995 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -172.36 157.68 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.962 . . . . 0.0 108.877 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.03 115.73 13.84 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.6 41.27 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.321 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.54 178.23 29.95 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.586 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.87 147.48 37.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.773 0.32 . . . . 0.0 110.784 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 31.8 p90 -127.44 150.15 49.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.165 178.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.5 t -135.36 126.91 28.81 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 p -128.59 106.0 8.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.907 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.637 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 35.6 ttp180 -83.1 114.22 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.42 0.629 . . . . 0.0 111.118 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.462 ' HG3' ' HE3' ' A' ' 36' ' ' TRP . 44.7 tpp -95.49 114.87 26.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.922 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HG3' ' HG2' ' A' ' 54' ' ' ARG . 48.4 mt-10 -123.48 150.62 43.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.934 0.397 . . . . 0.0 110.994 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.42 119.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.854 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.7 ptpt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.447 -0.621 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.45 143.67 34.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.688 0.28 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.8 p-10 -92.08 123.51 35.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.216 0.532 . . . . 0.0 110.503 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -93.89 106.2 18.18 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -114.49 141.99 46.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.2 152.16 24.31 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.731 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.2 m -112.94 126.72 55.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.633 0.254 . . . . 0.0 110.458 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -76.25 113.95 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.197 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -88.23 -33.09 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -147.14 123.98 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.478 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.82 115.35 49.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.174 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB3' ' A' ' 77' ' ' LYS . 37.3 t -117.48 112.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.42 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.111 -172.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.24 30.55 1.48 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.878 1.271 . . . . 0.0 113.092 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.6 tttt -137.34 -66.87 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.439 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -150.58 134.51 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.272 0.558 . . . . 0.0 112.035 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.2 mt -114.72 113.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.451 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -116.43 124.28 49.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.076 0.465 . . . . 0.0 110.405 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -143.63 158.84 43.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.841 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.44 141.52 48.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.265 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.44 107.6 7.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.92 -121.08 20.88 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.132 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.56 -1.76 56.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.983 0.42 . . . . 0.0 111.238 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -120.44 171.94 8.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.552 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 t -147.13 159.33 43.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.46 137.37 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 111.453 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -113.86 112.13 22.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.859 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 103' ' ' VAL . 41.8 t -109.06 107.84 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.309 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -114.5 145.24 42.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.92 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -106.65 104.42 14.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.013 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.7 mt -96.76 106.56 18.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.174 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.55 108.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.286 0.565 . . . . 0.0 110.575 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.45 165.56 12.74 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.962 -173.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 11.1 Cg_endo -55.15 -28.62 62.0 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.776 2.318 . . . . 0.0 113.394 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HB2' HG21 ' A' ' 8' ' ' THR . 85.4 mm-40 -91.7 -10.88 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.62 0.248 . . . . 0.0 111.484 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.24 -111.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.547 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -136.82 121.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.973 0.416 . . . . 0.0 110.982 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.5 m -86.6 109.98 19.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 176.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.49 105.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -102.55 107.92 19.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.365 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 5' ' ' VAL . 44.9 t -101.72 107.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.962 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m -103.52 104.28 14.33 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -122.87 145.51 48.39 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.046 0.45 . . . . 0.0 111.193 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.0 t -76.68 129.13 37.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.798 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.53 147.1 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 10.1 tp10 -73.78 139.62 45.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.509 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 p -87.42 -13.38 43.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.425 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 43.3 mt-10 -99.16 8.2 45.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.004 0.431 . . . . 0.0 111.201 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.67 153.77 54.5 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.763 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.69 102.61 0.11 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.777 2.318 . . . . 0.0 112.317 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 3' ' ' ILE . 67.3 t -65.32 -40.92 90.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.364 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -40.62 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.46 -36.01 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.19 0.519 . . . . 0.0 110.36 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -72.19 -39.88 68.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.694 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.01 -47.44 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.905 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.21 -45.38 88.53 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.092 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.9 -52.32 52.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.193 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.78 -34.43 78.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 0.211 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.11 -40.06 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.985 0.421 . . . . 0.0 110.154 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.4 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.41 . . . . 0.0 110.19 175.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 119' ' ' GLY . 81.9 mt -63.69 -44.11 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.627 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 5' ' ' VAL . 55.2 mt -63.88 -43.74 95.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.594 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 87.5 m-20 -66.84 -33.59 75.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.668 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 64.0 t30 -69.62 -41.29 75.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.31 0.576 . . . . 0.0 109.453 176.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 131' ' ' VAL . 78.6 t80 -58.45 -48.63 80.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.06 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 8' ' ' THR . 62.2 tttm -51.6 -57.09 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.659 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 57.9 mtt-85 -58.42 -43.07 88.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.111 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.88 -42.49 90.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.815 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 90.5 t -68.47 -39.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.1 -17.73 62.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.849 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -77.56 -13.18 59.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 172.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 39.9 m-70 -75.87 -19.83 58.56 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 171.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 11' ' ' ALA . 49.4 mt . . . . . 0 C--O 1.233 0.224 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.032 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.693 0.282 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -119.27 116.31 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.42 HD11 HG13 ' A' ' 113' ' ' VAL . 64.9 mt -93.74 134.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m -122.41 113.44 19.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.002 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.6 m -113.97 151.33 15.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.542 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 14.2 pt-20 -154.65 160.37 41.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.429 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -157.02 148.56 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.74 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -99.51 105.09 16.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 128' ' ' LYS . 12.1 t -88.01 130.83 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.879 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 12.02 4.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.045 0.45 . . . . 0.0 111.75 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -101.77 154.28 37.4 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.56 146.11 92.43 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.758 2.305 . . . . 0.0 112.045 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.22 -29.23 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.143 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.44 98.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.318 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -77.04 -37.56 54.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.73 -43.02 94.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.249 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 55.0 t-105 -57.43 -49.72 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.015 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -72.02 -35.15 69.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.825 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.083 0.468 . . . . 0.0 110.804 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -82.71 -11.77 58.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.868 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 p -117.41 -0.42 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' ILE . 88.0 m -96.01 110.3 51.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.62 -43.66 49.22 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.534 2.823 . . . . 0.0 113.554 -173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 8.7 pt-20 -71.7 -16.01 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.641 -176.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -95.38 -41.54 8.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 84.9 mt -50.93 -48.45 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.402 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.7 pttt -65.63 -6.99 12.81 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.14 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -90.68 -25.5 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 31.7 p-90 -117.28 -11.95 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -78.88 84.36 4.93 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.955 0.407 . . . . 0.0 110.347 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.88 112.62 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.931 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.25 13.0 26.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -158.96 150.63 20.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.34 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.16 -19.38 63.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.018 0.437 . . . . 0.0 109.967 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.35 -16.42 37.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.319 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.642 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 61.5 m95 -107.42 149.9 27.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -158.91 148.03 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.219 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.4 m -83.7 113.68 21.05 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -39.27 19.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.287 -175.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.56 146.97 35.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.396 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.23 130.82 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 m -141.76 125.8 17.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.6 t -132.81 125.02 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.654 0.264 . . . . 0.0 111.453 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -105.37 98.35 8.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -82.35 106.21 14.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -173.31 164.06 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 81.5 mt-10 -70.91 105.55 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 13.85 30.85 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.436 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.19 179.07 42.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.851 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.02 160.34 40.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.509 ' HB2' HG22 ' A' ' 43' ' ' VAL . 42.0 p90 -138.46 147.7 43.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.133 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 p -134.25 124.69 26.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.202 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -128.56 133.57 48.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -102.36 93.64 5.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.903 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.642 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 35.5 ttp -101.67 118.66 37.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -125.26 159.3 31.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.594 -174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -95.51 136.32 36.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.2 mttt . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.849 -173.367 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.476 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -155.1 166.3 34.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.598 0.699 . . . . 0.0 112.168 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 102.94 14.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.832 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.87 105.34 17.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.56 146.0 47.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.698 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.87 170.13 33.1 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.865 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.0 m -117.2 132.8 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -80.43 110.72 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -84.04 -32.66 24.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 18.1 tptm -147.81 127.05 12.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 99.0 t -135.38 102.65 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.687 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -113.43 119.61 61.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.241 0.543 . . . . 0.0 109.641 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 44.8 tt0 -66.22 131.77 46.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.514 -171.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.406 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.9 OUTLIER 68.53 28.0 6.03 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.198 178.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.621 ' HB2' HG13 ' A' ' 74' ' ' VAL . 35.3 mmtm -138.45 -76.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.627 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.583 ' HD2' ' HB3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -157.43 150.88 23.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 111.798 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 89' ' ' LYS . 51.0 mt -113.51 116.06 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.912 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 33.0 tt0 -110.66 123.49 50.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -147.7 160.13 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 111.287 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.359 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -128.18 118.93 24.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.64 -108.6 2.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.765 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.25 0.14 14.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.839 0.352 . . . . 0.0 110.342 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 20.8 mmt180 -118.94 135.7 54.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.387 . . . . 0.0 111.206 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.0 t -112.39 148.99 33.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.842 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.92 143.51 34.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 29.0 ttpt -127.05 112.4 15.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.327 0.584 . . . . 0.0 110.169 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -88.19 113.62 25.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.502 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -106.36 134.66 49.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.01 0.433 . . . . 0.0 110.602 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.75 108.65 20.27 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.3 mt -90.37 115.4 27.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.273 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.23 106.09 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.266 0.555 . . . . 0.0 111.058 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.37 158.16 33.28 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.373 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.4 Cg_endo -59.52 -31.04 93.93 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.454 2.102 . . . . 0.0 113.079 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -96.66 -23.89 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.97 -168.96 35.63 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.672 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.28 119.65 60.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.017 0.437 . . . . 0.0 110.517 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 28.8 m -84.96 110.37 18.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.535 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.3 t -85.19 109.49 18.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -112.37 123.91 51.32 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 90' ' ' VAL . 45.6 t -112.27 107.72 23.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -103.44 113.83 27.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -130.44 149.85 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.879 0.371 . . . . 0.0 111.173 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.35 121.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -103.09 146.92 27.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.86 -171.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.07 131.82 43.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.419 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.3 p -85.68 -11.26 54.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.265 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -82.75 -32.96 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.056 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.32 151.1 41.19 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.506 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 42.8 Cg_exo -57.22 129.25 33.21 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.794 2.329 . . . . 0.0 112.384 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 3' ' ' ILE . 65.6 t -64.76 -29.95 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.99 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.73 -56.67 12.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.434 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -32.79 73.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.196 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.0 mt-30 -68.11 -47.81 67.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.286 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -71.95 -53.11 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.78 -37.25 86.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.969 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.481 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.78 -58.51 13.44 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.142 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.455 ' HB3' HG21 ' A' ' 5' ' ' VAL . 41.8 m95 -63.3 -36.14 82.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.461 0.172 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -63.43 -43.74 96.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.62 96.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' GLY . 77.6 mt -62.16 -41.72 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.303 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.1 -36.87 82.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.136 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.81 -41.25 83.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -62.71 -41.16 99.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 131' ' ' VAL . 63.3 t80 -58.77 -56.04 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.654 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 9' ' ' VAL . 59.1 pttt -61.27 -42.67 99.04 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.836 -176.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 129' ' ' ARG . 48.3 mtp85 -62.67 -38.5 90.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 14.4 t60 -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 127' ' ' PHE . 39.3 t -78.49 -44.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.58 -45.2 85.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.924 0.393 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 m -72.23 -17.38 61.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 11.8 t-160 -88.54 -11.24 46.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.362 -177.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 11' ' ' ALA . 91.2 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.72 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.05 122.61 27.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.442 HD11 HG13 ' A' ' 113' ' ' VAL . 62.9 mt -112.09 130.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.821 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.6 m -107.73 112.82 25.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.483 HG23 ' HB ' ' A' ' 103' ' ' VAL . 16.0 m -113.85 137.7 46.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.34 145.86 34.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.203 0.525 . . . . 0.0 111.989 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -144.76 130.17 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.135 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 89.0 m -101.68 111.05 23.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.75 145.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.821 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.23 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.904 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -99.68 152.62 37.87 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.757 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.4 Cg_exo -69.66 156.0 64.77 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.504 2.136 . . . . 0.0 111.297 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' OD1' ' A' ' 76' ' ' ASN . 9.7 p -59.82 -28.17 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.979 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -60.06 -36.71 91.24 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.37 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.6 mttm -84.8 -41.19 16.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.54 -45.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.284 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.4 t-105 -56.26 -49.52 73.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 77.8 mtt-85 -67.6 -39.41 84.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 -173.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.45 -32.55 70.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 0.0 111.374 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -81.54 -15.75 53.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.19 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' HB ' HD22 ' A' ' 45' ' ' LEU . 23.1 p -108.36 -31.17 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' HG13 ' A' ' 26' ' ' ILE . 30.0 m -76.5 112.18 20.07 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 16.4 Cg_endo -57.7 -24.66 64.28 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.121 2.548 . . . . 0.0 112.585 -176.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 8.0 tp10 -66.11 -37.2 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.297 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.09 -33.59 18.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.882 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 68.4 mt -52.39 -43.93 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.679 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 33.8 mtmm -64.41 -8.07 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -91.22 -18.41 24.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.902 -0.135 . . . . 0.0 111.209 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 50.0 p-90 -132.22 -3.5 3.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.76 80.77 2.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 111.05 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -169.7 132.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.081 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.19 -23.55 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 109.701 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -156.25 158.18 37.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.088 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -69.36 -4.42 18.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.3 -11.78 59.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.844 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -106.45 148.18 28.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.174 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -137.31 139.1 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -38.32 21.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 -175.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.54 128.92 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.705 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.4 115.28 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.6 m -122.85 117.22 25.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.914 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.32 113.44 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.75 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -101.42 103.3 14.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 21' ' ' THR . 55.8 tp -80.75 100.3 8.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.448 -174.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -168.32 162.67 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.34 100.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.34 15.19 20.14 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.18 144.25 17.03 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.746 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.43 151.88 19.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.187 0.518 . . . . 0.0 111.039 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -135.24 144.62 46.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.308 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 t -146.88 121.47 9.77 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 112.06 14.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.669 HH11 ' HB2' ' A' ' 65' ' ' ASP . 19.8 mmm180 -82.79 102.65 11.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.256 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 86.3 mtp -102.3 112.57 25.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -124.52 151.94 44.04 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.1 142.49 34.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 -179.553 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 112.003 -0.439 . . . . 0.0 112.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.14 164.27 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 0.0 111.057 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.669 ' HB2' HH11 ' A' ' 54' ' ' ARG . 18.1 t70 -123.95 123.56 40.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.132 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -97.29 106.29 18.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.88 128.7 49.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.017 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.24 -172.89 29.19 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.098 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.8 m -129.71 134.85 47.87 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 86.0 m-85 -73.19 111.95 8.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 p -84.35 -34.04 23.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.858 ' HB2' ' HB3' ' A' ' 80' ' ' GLU . 31.4 mmtp -137.8 138.09 38.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.731 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.04 100.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.053 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.455 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 24.3 t -104.91 100.46 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.7 tt0 -55.24 123.71 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.052 -173.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' HG13 ' A' ' 13' ' ' VAL . 48.8 m-80 67.49 22.96 9.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.269 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 21.6 ttmm -139.62 -61.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.083 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 13.0 ptp180 -152.46 151.29 30.58 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.907 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.3 mt -124.35 118.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.454 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.858 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 20.2 tt0 -115.35 122.34 45.59 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.488 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 39.2 p90 -139.85 150.76 45.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -117.98 124.61 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.92 177.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -119.45 123.64 44.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.241 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -103.83 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.627 -0.796 . . . . 0.0 111.309 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.37 -10.92 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 108' ' ' GLU . 33.3 mtm180 -109.43 135.15 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.043 -172.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 11.7 t -108.46 153.18 23.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -132.03 139.87 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -117.08 110.98 18.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.988 0.423 . . . . 0.0 110.404 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 103' ' ' VAL . 60.7 t -102.31 117.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.667 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.73 134.58 54.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 -177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -99.17 104.46 16.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.753 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 64.2 mt -88.94 105.44 17.77 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.32 106.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.285 0.564 . . . . 0.0 110.376 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.76 165.47 12.71 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.067 -175.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.4 -42.9 44.47 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 111.891 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -90.47 15.93 9.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.51 -131.06 5.62 Favored Glycine 0 C--O 1.226 -0.377 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.864 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -132.87 120.02 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.47 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 58.8 m -89.39 105.76 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.086 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.95 105.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.683 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -105.51 112.95 26.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.326 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 90' ' ' VAL . 46.4 t -102.76 109.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.165 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.2 t -107.89 107.2 17.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.28 150.99 41.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.82 106.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.446 0.641 . . . . 0.0 109.864 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.72 146.98 23.33 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.406 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 37.4 tt0 -84.64 117.25 23.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.2 t -72.52 -2.49 19.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.531 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 68.1 mm-40 -69.63 -38.85 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.612 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 51.0 m-85 -80.11 161.71 64.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.46 110.6 0.63 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.247 1.964 . . . . 0.0 111.304 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 3' ' ' ILE . 57.6 t -61.09 -45.62 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.903 -173.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.44 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -175.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -69.89 -40.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.298 -177.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.612 ' NE2' ' HB2' ' A' ' 111' ' ' TYR . 54.6 mt-30 -63.83 -48.71 75.7 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.779 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -57.54 -44.95 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.551 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.52 -46.46 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.501 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.41 -49.27 80.41 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.453 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.453 ' HB3' HG21 ' A' ' 5' ' ' VAL . 69.2 m95 -63.88 -43.16 96.87 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.12 -36.25 83.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.298 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.24 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.623 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.5 mt -61.84 -41.53 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.38 177.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -34.26 77.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.464 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -73.95 -40.13 63.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.761 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.68 -41.37 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.478 . . . . 0.0 109.793 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.6 t80 -59.78 -49.26 78.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.391 174.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.33 -51.87 65.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -54.33 -48.08 71.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.445 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.77 -43.96 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.412 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.8 t -73.18 -49.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.427 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.24 -35.99 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.291 . . . . 0.0 111.503 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -73.51 -15.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.245 0.545 . . . . 0.0 110.022 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -94.94 -3.87 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.76 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 11' ' ' ALA . 79.9 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.523 175.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -134.13 114.65 13.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.796 0.332 . . . . 0.0 110.637 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 117' ' ' GLN . 66.1 mt -92.98 123.06 44.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.3 m -103.65 111.3 23.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.382 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.77 161.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.749 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.5 pt-20 -148.42 157.99 43.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.922 0.391 . . . . 0.0 111.832 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' A' ' 124' ' ' LEU . 8.8 t -149.87 131.88 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.253 173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -98.86 105.99 18.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.682 0.277 . . . . 0.0 110.267 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 11' ' ' ALA . 17.8 t -91.33 135.56 26.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.172 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 12.09 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.118 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -108.73 153.51 42.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.65 154.4 55.01 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.53 2.153 . . . . 0.0 111.857 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.46 -29.67 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.205 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -43.92 98.67 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.2 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.86 -44.18 73.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.289 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.91 -43.6 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.601 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 48.6 t-105 -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.962 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.7 mtp180 -67.95 -44.95 75.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.94 68.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.071 0.462 . . . . 0.0 111.248 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -86.96 -18.5 30.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.013 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -114.2 1.79 14.64 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 36.0 m -95.97 113.7 62.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.635 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 72.2 Cg_exo -50.39 -40.19 53.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.615 2.876 . . . . 0.0 113.657 -175.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.063 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.8 -44.66 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.915 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.545 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 77.7 mt -52.2 -47.15 44.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.32 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -57.84 -20.93 39.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.08 -31.7 11.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.294 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.581 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 19.4 p-90 -97.85 -14.5 20.69 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.629 -0.829 . . . . 0.0 112.445 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.93 78.01 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.474 0.654 . . . . 0.0 109.551 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.92 152.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.632 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.26 49.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.995 0.426 . . . . 0.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -173.7 165.66 4.49 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.67 -5.21 27.92 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.448 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.42 -12.29 61.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.595 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -120.7 161.82 20.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -152.28 147.7 26.67 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.528 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.547 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 84.9 m -99.57 110.78 23.2 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 p -84.04 -42.36 16.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -173.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.25 120.86 29.65 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -139.1 99.3 3.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 33.2 m -104.32 116.13 31.61 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.866 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.58 110.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.36 92.13 7.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -79.94 95.09 6.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.383 -172.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -169.57 165.46 10.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.932 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.1 115.47 11.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.48 11.56 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.57 147.62 16.4 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.12 38.33 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' THR . 45.6 p90 -126.18 144.23 50.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 26.5 m -129.95 122.58 28.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -128.59 112.37 14.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.997 0.427 . . . . 0.0 109.971 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -100.33 105.54 17.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.229 0.537 . . . . 0.0 110.667 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 49.0 ttm -93.17 121.34 34.43 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.295 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 55.9 mt-10 -116.65 154.91 29.72 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.26 135.24 37.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 169.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.0 tttm . . . . . 0 C--N 1.321 -0.652 0 CA-C-O 121.172 0.51 . . . . 0.0 110.237 -174.886 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 111.874 -0.49 . . . . 0.0 111.874 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' MET . 13.6 p90 -151.94 151.93 31.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.39 116.26 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.288 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.96 113.24 26.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.087 0.47 . . . . 0.0 110.75 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.23 132.44 54.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.982 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.06 168.09 24.69 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.154 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -128.38 133.5 48.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.777 0.322 . . . . 0.0 110.361 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -76.51 113.66 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.145 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 p -83.66 -36.23 23.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.012 0.434 . . . . 0.0 110.357 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 33.0 mmtt -141.89 119.03 11.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.15 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.31 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.917 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.532 HG12 ' HB3' ' A' ' 77' ' ' LYS . 18.2 t -108.96 96.53 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.6 tt0 -57.37 132.88 54.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.555 -173.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.67 9.14 6.8 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.257 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.532 ' HB3' HG12 ' A' ' 74' ' ' VAL . 60.6 tttp -131.48 -67.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -158.01 161.08 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 0.0 112.103 -173.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.0 mt -132.94 127.62 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.779 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 41.7 mt-10 -113.83 130.59 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -152.67 151.59 30.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.528 . . . . 0.0 111.239 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.11 125.21 52.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.43 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -122.57 124.03 42.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.131 0.491 . . . . 0.0 110.9 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.62 -103.64 0.72 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.643 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -114.86 -4.23 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . 78.8 mtm-85 -137.36 161.36 36.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.032 -175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.3 t -114.29 161.51 17.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -142.7 138.28 30.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.353 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -118.24 114.18 22.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.581 HG22 HG13 ' A' ' 103' ' ' VAL . 52.3 t -106.19 126.33 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 134.48 53.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.773 0.321 . . . . 0.0 111.059 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.24 107.57 19.43 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.17 110.33 22.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.689 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' A' ' 99' ' ' VAL . 33.1 mt-10 -74.37 117.07 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.559 0.695 . . . . 0.0 111.117 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.97 164.9 13.84 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.019 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.74 -11.26 25.75 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.537 2.158 . . . . 0.0 112.507 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -106.06 -2.42 22.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.646 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.08 -174.4 21.71 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.821 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.601 HG22 ' HG2' ' A' ' 94' ' ' GLU . 48.9 t -94.54 118.77 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.068 0.461 . . . . 0.0 110.844 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -93.88 108.6 20.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.211 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.5 t -87.13 109.05 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.874 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -102.14 112.77 25.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 90' ' ' VAL . 51.1 t -104.53 107.57 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.971 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -106.65 104.55 14.26 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 46.8 p90 -116.47 143.52 45.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -174.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 86' ' ' ARG . 95.1 t -72.12 117.85 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -108.75 146.94 32.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.236 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.0 134.23 52.77 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.664 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.2 p -73.27 -11.27 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.031 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -62.24 -21.21 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.137 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -125.74 155.08 73.11 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.216 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.46 ' HG2' ' HG2' ' A' ' 115' ' ' GLN . 8.7 Cg_endo -52.75 115.31 2.16 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.41 2.073 . . . . 0.0 112.219 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 3' ' ' ILE . 97.3 t -61.26 -40.05 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.057 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.81 -48.93 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.337 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' A' ' 112' ' ' PRO . 4.8 pp0? -73.8 -22.47 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.013 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -72.92 -47.29 46.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' HD13 ' A' ' 3' ' ' ILE . 35.6 tt0 -68.36 -54.97 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.342 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -61.76 -33.21 73.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.032 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.31 -57.0 22.04 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.17 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 66.9 m95 -70.1 -33.59 72.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.367 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -61.74 -46.44 89.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.561 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.1 mt -62.35 -41.94 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.955 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 77.8 mt -67.05 -36.72 82.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 111.266 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.44 -38.35 74.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.459 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.581 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 51.2 t30 -68.71 -39.15 80.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.917 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.52 -43.45 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.388 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -51.85 -55.37 20.42 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.146 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -61.43 -38.27 86.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.854 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -62.3 -39.51 93.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.186 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 52.2 t -82.3 -53.13 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.484 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.49 -41.67 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -171.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -6.38 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.297 0.57 . . . . 0.0 110.51 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -96.49 -3.98 42.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.652 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 11' ' ' ALA . 94.3 mt . . . . . 0 C--O 1.233 0.222 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.034 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.95 144.38 42.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.1 mt -117.99 124.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 m -111.93 111.08 21.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.976 0.417 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.63 140.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.226 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 168.12 11.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.514 0.674 . . . . 0.0 111.506 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.647 HG23 ' HD3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -165.03 116.75 1.17 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.789 -179.123 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.5 m -98.57 108.99 21.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 128' ' ' LYS . 15.1 t -90.95 138.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.642 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 11.99 1.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.17 149.36 37.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.561 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.6 155.06 55.57 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.581 2.187 . . . . 0.0 111.78 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.543 ' HA ' HG21 ' A' ' 99' ' ' VAL . 7.1 p -62.1 -26.75 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.893 -172.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.49 -42.99 99.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.153 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.0 -41.65 70.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 110.417 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.83 -47.51 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.721 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -57.2 -48.92 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -64.14 -46.83 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.322 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.24 -17.89 62.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -92.3 -25.29 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.78 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -100.44 -20.87 15.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.7 m -85.02 114.72 57.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.9 Cg_endo -59.39 -24.21 73.63 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.078 2.519 . . . . 0.0 112.49 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.84 -44.21 90.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.95 -35.21 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.57 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 64.2 mt -54.23 -44.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.294 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -61.59 -14.56 31.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.755 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -95.54 -41.29 9.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 45.6 p-90 -102.7 -12.26 17.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -83.35 83.09 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.843 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.12 108.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.317 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.0 -42.9 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 110.312 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -98.14 145.86 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.173 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.54 -26.9 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' OD2' ' HB1' ' A' ' 57' ' ' ALA . 33.4 t70 -83.16 -20.64 34.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.256 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -97.22 151.13 20.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.743 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.26 161.08 33.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.244 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 41' ' ' ALA . 13.7 m -85.67 110.35 19.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.133 0.492 . . . . 0.0 109.752 174.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -83.11 -35.11 25.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.642 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.98 130.02 19.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.198 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 38' ' ' THR . . . -134.55 110.13 9.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.906 0.384 . . . . 0.0 111.117 -175.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -116.49 113.56 22.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.824 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.37 107.66 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.953 0.406 . . . . 0.0 110.573 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 20.9 t70 -94.98 90.59 6.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.37 0.605 . . . . 0.0 109.725 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -78.42 98.41 6.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.575 -173.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -170.4 156.44 5.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 112.62 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.02 -6.9 40.62 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -172.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.47 -178.61 51.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.102 -0.571 . . . . 0.0 111.858 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' ASP . . . -142.53 148.63 37.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.1 0.476 . . . . 0.0 111.486 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -113.41 155.18 25.71 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 m -147.15 113.58 5.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.916 0.389 . . . . 0.0 110.31 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -121.74 115.29 22.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.467 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 17.9 tpp180 -82.74 112.84 19.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.9 mmm -104.14 114.64 29.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 62.6 mt-10 -124.8 159.89 29.97 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 111.301 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' OD2' ' A' ' 35' ' ' ASP . . . -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.617 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.47 -176.552 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -152.54 156.68 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.283 0.541 . . . . 0.0 111.095 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.79 126.5 35.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -106.26 106.28 16.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.38 159.01 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.202 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.48 159.2 32.27 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.668 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 m -103.33 131.85 50.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.607 0.203 . . . . 0.0 110.61 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -75.81 114.9 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 p -86.89 -36.71 18.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -150.58 124.05 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.473 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 64.6 t -134.02 129.15 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 77' ' ' LYS . 3.3 p -141.15 134.02 30.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.18 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.45 131.5 42.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.357 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 11.3 p30 48.03 25.48 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.075 1.35 . . . . 0.0 113.802 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HB3' HG13 ' A' ' 74' ' ' VAL . 55.8 tttp -125.36 -64.9 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.372 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -157.11 140.22 15.42 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.193 0.52 . . . . 0.0 111.54 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.2 mt -120.31 118.5 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.706 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.35 130.28 56.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.173 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.91 153.96 40.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.08 123.19 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -118.65 108.71 15.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.25 0.547 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.76 -119.09 8.03 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.356 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -101.48 -0.58 34.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.643 0.735 . . . . 0.0 109.892 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -108.64 163.62 13.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.912 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 t -143.68 157.18 44.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.22 142.66 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.663 0.268 . . . . 0.0 111.204 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -118.26 112.54 20.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.877 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.6 t -104.7 112.87 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -107.71 141.55 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -112.39 103.95 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.88 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.78 119.28 38.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.432 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.24 122.24 26.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.406 0.622 . . . . 0.0 111.927 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.21 27.13 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.607 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.67 -12.1 32.19 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.272 1.981 . . . . 0.0 112.706 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.44 -14.43 15.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.691 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.07 -159.73 32.22 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.911 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 13' ' ' VAL . 57.4 t -112.27 123.42 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.226 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 m -91.11 103.24 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.805 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.91 124.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -112.85 117.02 30.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.229 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.48 107.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.863 0.364 . . . . 0.0 110.314 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -111.18 109.01 18.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.18 153.05 43.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.002 0.43 . . . . 0.0 111.312 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.98 117.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 147.17 28.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.592 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 111' ' ' TYR . 8.6 tp10 -63.27 125.6 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 p -79.26 -21.8 45.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.168 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -79.58 -21.78 44.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.521 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 16.5 m-85 -100.63 151.17 37.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.494 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 15.4 Cg_exo -68.78 138.47 41.17 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.683 2.256 . . . . 0.0 112.037 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.3 -39.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.62 -53.46 51.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.809 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 34.2 tt0 -63.79 -42.09 97.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.354 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.84 -40.59 79.35 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.844 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.39 -43.67 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.603 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -73.04 -29.87 63.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.875 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -77.89 -50.83 6.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.262 -0.494 . . . . 0.0 112.985 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.19 -33.8 76.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.632 0.216 . . . . 0.0 110.896 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.66 -33.22 70.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.27 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.327 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.03 -42.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.329 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 35.6 mt -63.23 -36.88 85.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 91.4 m-20 -62.19 -56.56 17.53 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -54.42 -43.64 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 131' ' ' VAL . 74.9 t80 -54.19 -56.64 16.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.348 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 7' ' ' THR . 22.1 pttm -71.01 -25.19 62.57 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.315 -177.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 33.2 mmm-85 -64.11 -45.91 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -60.52 -37.09 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.047 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 59.4 t -80.14 -54.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -70.14 -30.91 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.1 t -75.61 -13.08 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.986 0.422 . . . . 0.0 110.133 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -92.19 -24.44 19.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.578 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.0 mt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.422 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.61 0.243 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -107.22 110.29 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.403 HD11 HG13 ' A' ' 113' ' ' VAL . 61.8 mt -98.81 133.9 39.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.07 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -116.84 112.56 21.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -113.64 167.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.375 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.28 165.99 34.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 111.848 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.541 ' CB ' ' HB3' ' A' ' 124' ' ' LEU . 0.9 OUTLIER -163.98 117.91 1.48 Allowed 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.167 -176.093 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 92.4 m -95.12 119.57 33.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.871 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.4 t -100.51 146.84 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.636 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.25 12.54 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 111.461 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -103.78 153.83 38.44 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.76 151.05 85.49 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.357 2.038 . . . . 0.0 111.262 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.19 -25.55 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.101 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.0 90.18 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.257 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.76 -39.66 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.599 -0.353 . . . . 0.0 110.463 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.45 -46.96 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -56.89 -49.47 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.163 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -67.46 -44.22 79.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.165 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 t80 -79.55 -14.72 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.524 ' HB ' HD22 ' A' ' 45' ' ' LEU . 33.6 p -115.22 -9.2 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.9 m -91.94 110.28 42.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 11.2 Cg_endo -53.74 -38.87 85.23 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.339 2.693 . . . . 0.0 113.238 -173.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-10 -62.94 -34.77 78.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 13.1 t70 -83.66 -40.2 19.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' THR . 82.4 mt -51.48 -45.46 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.607 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 10.7 mtmp? -56.52 -17.85 9.69 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 25' ' ' ASP . 56.2 mt-30 -86.85 -19.49 28.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 -174.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 55.7 p-90 -129.91 -14.62 3.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -77.42 85.0 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.152 0.977 . . . . 0.0 111.374 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.73 133.53 5.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.351 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 -22.02 38.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.474 0.654 . . . . 0.0 110.263 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 p -157.03 160.05 38.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.909 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.24 -3.85 35.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.404 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.64 -24.13 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.305 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -109.07 155.0 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.66 131.0 9.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.335 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -78.24 112.06 14.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.299 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -83.94 -37.08 22.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.015 0.436 . . . . 0.0 110.86 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.81 127.37 26.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.68 116.19 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -120.73 116.38 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.641 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.19 120.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.142 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -106.19 90.54 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' HB ' ' A' ' 21' ' ' THR . 32.0 tp -81.4 101.86 10.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.409 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -174.0 172.27 3.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.342 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.28 116.25 10.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.52 71.86 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.325 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.98 15.88 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.15 155.37 25.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 p90 -127.19 143.76 51.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.935 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 m -124.37 125.91 45.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.31 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 p -128.44 115.71 18.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.342 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -83.32 106.59 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.9 mmt -92.69 116.27 28.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.949 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.004 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.99 136.04 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mttm . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.735 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -161.44 154.24 20.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.924 0.393 . . . . 0.0 110.419 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.69 110.12 22.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.241 0.543 . . . . 0.0 109.806 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.3 110.55 14.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -117.91 129.84 55.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.86 145.77 16.95 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 m -105.65 124.9 50.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.36 112.84 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.998 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 p -83.98 -38.64 20.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -145.38 118.37 8.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.132 0.491 . . . . 0.0 110.572 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.04 120.44 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.595 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.3 p -132.82 124.5 50.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.721 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.24 131.59 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.147 -170.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 63.78 16.29 9.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.142 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.657 ' HB2' HG13 ' A' ' 74' ' ' VAL . 31.8 mmtp -119.82 -71.75 0.72 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 111.049 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 10.1 ptp85 -158.29 151.41 22.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.24 0.543 . . . . 0.0 111.352 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.1 111.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.282 174.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -108.38 123.28 48.6 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.66 144.36 41.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 110.5 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -109.81 122.62 47.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.226 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -107.88 110.35 22.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.336 0.589 . . . . 0.0 110.001 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -104.49 1.5 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.817 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -114.1 -13.46 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.653 0.263 . . . . 0.0 111.078 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -119.6 142.74 48.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 111.054 -174.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.1 t -109.81 162.38 14.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.287 0.565 . . . . 0.0 112.102 -172.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.06 131.8 35.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.635 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -114.02 111.99 22.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.54 HG22 HG13 ' A' ' 103' ' ' VAL . 59.2 t -102.61 115.77 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.142 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 42.6 mt-10 -111.08 137.7 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.002 0.429 . . . . 0.0 111.358 -177.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -102.79 108.23 19.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.635 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.31 110.6 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.04 111.41 6.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 110.733 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.97 168.32 8.4 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.96 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.74 -34.57 72.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.141 1.894 . . . . 0.0 111.844 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.94 -5.24 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.286 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.97 -135.8 5.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.465 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.89 118.33 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 34.8 m -91.73 106.64 18.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.512 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.51 105.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.753 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -104.13 116.93 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 90' ' ' VAL . 60.3 t -103.33 108.04 23.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 p -99.46 104.61 16.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.566 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -122.62 154.28 38.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.802 0.334 . . . . 0.0 111.374 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.6 t -85.37 122.34 38.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.794 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.6 146.75 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.708 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.02 119.34 30.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 p -69.83 -7.38 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.381 0.61 . . . . 0.0 110.615 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.19 0.09 55.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.706 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -141.46 160.07 58.31 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.09 127.85 26.71 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.903 2.402 . . . . 0.0 112.281 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.403 HG13 HD11 ' A' ' 3' ' ' ILE . 63.1 t -62.52 -52.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.106 -174.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 115' ' ' GLN . 8.9 pt-20 -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -174.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.406 ' NE2' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mp0 -65.78 -31.48 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.726 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.431 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 51.2 mt-30 -79.78 -47.56 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -54.36 -55.09 32.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.966 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -73.12 -25.74 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.425 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.16 -55.47 21.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.148 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 87.8 m95 -63.25 -36.87 85.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.58 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.91 -39.56 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.913 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 119' ' ' GLY . 72.3 mt -60.95 -44.74 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 7' ' ' THR . 42.5 mt -63.54 -45.31 91.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.456 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.41 -39.91 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.99 -42.95 72.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.164 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 131' ' ' VAL . 77.4 t80 -58.28 -47.34 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.316 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -52.25 -59.14 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.548 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -61.52 -38.4 87.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.847 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.55 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.2 t -67.9 -45.55 83.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.961 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.14 -38.84 87.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.321 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.3 m -73.02 -36.47 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 0.0 110.63 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -66.59 -30.31 70.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.605 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 11' ' ' ALA . 96.8 mt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.24 175.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 121.051 0.453 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 130.8 52.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.063 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 113' ' ' VAL . 57.0 mt -109.27 128.55 65.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -118.24 111.07 18.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.926 0.393 . . . . 0.0 110.152 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 m -121.04 134.82 63.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.675 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -134.53 164.65 26.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.148 0.499 . . . . 0.0 111.773 -176.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -156.33 130.57 8.68 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.362 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 46.5 m -96.17 115.01 26.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 0.0 111.041 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.4 t -90.21 135.31 26.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -3.53 28.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.387 . . . . 0.0 111.543 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -91.46 152.81 43.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 161.65 37.98 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.117 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.3 -23.16 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.241 -174.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -29.29 67.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.055 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.532 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.1 mttm -85.48 -51.44 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.986 0.422 . . . . 0.0 110.125 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.1 t -57.61 -47.81 84.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.049 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.8 t-105 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.716 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -81.36 -22.85 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 -29.13 61.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.328 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -83.81 -16.11 45.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.225 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.0 p -111.56 -23.22 10.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 26' ' ' ILE . 46.0 m -78.48 112.62 27.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.751 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.9 -34.28 96.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.219 2.612 . . . . 0.0 112.799 -175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -61.9 -33.78 74.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.163 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.92 -30.34 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.102 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -56.04 -39.67 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.129 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.8 mtmt -62.18 -8.09 5.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.952 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -94.17 -49.62 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.071 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -100.78 -8.77 22.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.448 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 44.6 t30 -71.39 89.04 0.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 33' ' ' SER . . . -171.9 118.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.522 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.85 -23.17 63.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.704 0.764 . . . . 0.0 109.523 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 23.6 m -146.5 152.88 39.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -4.2 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.539 . . . . 0.0 110.428 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 12.4 m-20 -78.81 -10.42 59.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.54 147.86 26.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.446 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.3 p80 -140.22 135.52 32.45 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.859 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' HB3' ' A' ' 30' ' ' ASN . 19.6 m -73.65 111.85 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.92 -41.74 17.06 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.632 -172.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 54' ' ' ARG . . . -151.97 142.43 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.44 122.18 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.036 0.446 . . . . 0.0 111.602 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -122.97 115.58 22.14 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.44 115.71 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -105.4 108.86 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.926 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.6 tp -91.62 101.8 14.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.427 -173.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -169.64 165.7 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 48.8 mt-10 -66.44 103.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.62 9.23 33.51 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.18 176.47 53.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.35 155.37 44.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.101 0.45 . . . . 0.0 110.773 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -131.3 155.04 47.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 t -149.47 113.16 5.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -127.94 120.01 26.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.097 0.475 . . . . 0.0 111.505 -173.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 65' ' ' ASP . 49.2 mmm-85 -82.87 118.19 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.434 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 15.7 ptp -119.77 123.01 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.25 152.96 40.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.46 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.34 115.1 23.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 169.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 18.6 ptpt . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -170.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.825 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -161.37 177.44 10.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.737 0.269 . . . . 0.0 110.577 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' A' ' 54' ' ' ARG . 16.5 t70 -107.69 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.173 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -92.3 109.09 20.46 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.04 151.93 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.22 167.82 39.56 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.654 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -115.25 128.7 56.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.602 0.239 . . . . 0.0 110.71 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -75.33 102.78 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.425 ' H ' ' HA ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -83.29 -41.31 18.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 -172.516 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -146.02 115.59 7.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -124.79 120.9 59.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.754 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.5 p -125.96 127.71 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 43.1 tt0 -57.62 134.99 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.311 -171.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 50.79 22.5 1.16 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.945 1.298 . . . . 0.0 113.609 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB2' HG13 ' A' ' 74' ' ' VAL . 99.2 mttt -124.49 -68.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.164 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.401 ' H ' HG13 ' A' ' 74' ' ' VAL . 18.0 ptt180 -158.49 153.52 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.137 176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 73' ' ' VAL . 48.6 mt -122.46 112.99 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.535 175.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -108.89 110.53 21.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' H ' ' A' ' 71' ' ' THR . 42.6 p90 -132.83 143.18 49.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.23 0.538 . . . . 0.0 111.602 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.24 126.51 51.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -124.83 111.1 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.346 0.593 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.16 -112.88 5.36 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.972 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -101.04 -7.25 23.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -110.48 167.74 9.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.264 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 106' ' ' VAL . 9.3 t -141.66 144.67 34.25 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.95 129.43 43.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.55 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HG2' ' OE2' ' A' ' 91' ' ' GLU . 27.6 ttpp -113.24 111.49 22.13 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.689 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.71 125.31 53.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.349 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.448 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 2.6 mp0 -104.78 135.39 46.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.01 101.96 11.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 171.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.58 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 75.6 mt -93.53 111.22 22.84 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 -174.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.23 106.12 4.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.556 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.6 162.1 20.92 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.158 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -67.46 -16.76 48.21 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.153 1.902 . . . . 0.0 112.409 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -106.61 -1.17 23.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.532 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.5 -145.83 14.47 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -128.28 121.09 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.038 0.447 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.58 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 20.7 m -89.82 113.86 25.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.786 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.7 t -82.9 105.36 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 47.7 ttt180 -110.3 107.34 17.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.82 111.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.7 m -109.55 104.8 13.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.431 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -127.94 158.84 36.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.841 0.353 . . . . 0.0 111.304 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 87' ' ' THR . 7.4 p -90.72 125.32 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.76 136.5 49.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.092 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.92 127.06 31.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.8 p -73.05 -6.74 47.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.986 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.45 -20.29 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.265 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -112.63 157.97 38.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.867 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.67 116.99 3.62 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.37 2.046 . . . . 0.0 112.193 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 3' ' ' ILE . 95.6 t -59.71 -42.77 89.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.6 -43.41 84.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.48 -43.03 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.85 -40.8 95.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.3 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.29 -54.57 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.972 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.77 -37.31 81.43 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.456 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.3 -58.16 15.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.227 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -67.62 -38.68 84.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -62.88 -41.64 99.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.71 -40.71 95.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.679 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.61 -39.08 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.242 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.44 -40.63 97.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -63.19 -45.97 89.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.495 177.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.75 -44.94 95.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.898 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 131' ' ' VAL . 57.3 t80 -60.38 -52.27 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.963 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -61.9 -38.83 89.83 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.906 -175.144 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.13 -37.78 81.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 0.0 110.12 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.64 -34.07 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.4 t -80.84 -45.36 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 58.6 mt-10 -66.29 -29.93 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.295 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 p -75.92 -8.49 57.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -110.31 13.92 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.019 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 11' ' ' ALA . 97.2 mt . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.935 0.398 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -123.36 120.92 34.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.354 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.511 HD11 HG13 ' A' ' 113' ' ' VAL . 63.4 mt -99.06 132.02 45.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.132 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 90.7 m -114.14 113.25 24.44 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.257 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.4 m -113.98 136.1 51.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.495 176.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.558 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 8.7 pt-20 -146.81 157.67 43.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.979 0.418 . . . . 0.0 111.907 -174.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -161.36 146.17 13.54 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.602 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 12.4 m -97.65 124.39 41.93 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.982 0.42 . . . . 0.0 111.324 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' ALA . 39.6 t -97.55 132.79 41.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.11 11.83 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -176.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.462 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -108.29 149.72 39.61 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.446 -178.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.05 146.62 95.64 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.626 2.217 . . . . 0.0 112.253 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.454 ' HB ' HG21 ' A' ' 99' ' ' VAL . 12.2 p -60.24 -26.59 37.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.437 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.647 ' HA2' HD21 ' A' ' 76' ' ' ASN . . . -57.24 -37.36 80.28 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.322 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.87 -39.71 17.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.665 0.269 . . . . 0.0 110.541 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.3 t -60.55 -42.03 90.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.475 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 63.7 t-105 -56.42 -49.42 74.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.017 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -74.35 -31.88 62.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.398 -174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.67 -23.5 63.46 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.903 0.382 . . . . 0.0 110.94 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -93.1 -9.37 39.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.879 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 p -117.57 -22.07 8.28 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -174.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.2 m -83.65 114.34 53.0 Favored Pre-proline 0 C--N 1.327 -0.402 0 N-CA-C 110.463 -0.199 . . . . 0.0 110.463 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.556 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.5 Cg_exo -52.46 -35.9 67.72 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.376 2.718 . . . . 0.0 113.305 -175.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -64.19 -36.01 82.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.249 -178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.88 -33.44 19.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.725 177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.56 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 75.1 mt -56.08 -44.84 79.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.212 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' HB ' ' A' ' 38' ' ' THR . 63.5 pttt -68.02 -6.35 22.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.881 0.372 . . . . 0.0 111.396 -177.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -90.9 -22.64 20.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.106 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 43.6 p-90 -121.14 -5.66 9.47 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.081 0.401 . . . . 0.0 112.081 -178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -77.42 71.46 3.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.4 0.619 . . . . 0.0 110.566 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.65 136.77 7.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.572 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.37 -25.41 57.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.262 0.553 . . . . 0.0 110.746 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -157.33 172.85 17.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -65.23 -23.42 67.06 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.836 177.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 6.3 m-20 -62.64 -22.01 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.165 -0.925 . . . . 0.0 110.319 177.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.535 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 76.4 m95 -107.59 155.41 20.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.572 177.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -155.7 150.1 25.89 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.464 ' HB ' ' HB2' ' A' ' 27' ' ' LYS . 5.8 m -91.77 126.58 36.91 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -177.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 p -92.91 -38.88 11.46 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 0.0 111.234 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -148.95 151.3 34.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.37 -178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.72 115.34 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.742 0.306 . . . . 0.0 110.925 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.8 m -115.34 113.54 23.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.827 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.556 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 65.8 t -131.32 115.96 30.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.904 0.383 . . . . 0.0 111.37 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -104.21 108.27 19.57 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.8 tp -87.06 102.07 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.391 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -175.23 161.62 2.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.377 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.03 107.32 3.57 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.6 -2.8 32.38 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 159.73 30.86 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.88 156.4 39.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 117.208 0.504 . . . . 0.0 111.241 -176.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.544 ' HB2' HG22 ' A' ' 43' ' ' VAL . 45.6 p90 -127.25 144.51 51.03 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.252 176.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.2 t -141.04 107.63 5.32 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.683 -0.689 . . . . 0.0 109.213 177.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.7 t -114.64 132.75 56.27 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -98.05 104.09 16.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 40.2 ttm -100.47 114.19 27.57 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 177.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 44.3 mt-10 -124.95 152.08 44.61 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -98.62 150.0 22.2 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.002 0.429 . . . . 0.0 111.011 -177.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.5 ptpt -78.91 -7.88 58.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.652 -176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -68.04 -22.04 64.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.557 0.218 . . . . 0.0 110.825 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.69 -16.39 54.75 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.52 173.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.8 t -107.09 -45.26 4.18 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 117.128 0.464 . . . . 0.0 110.828 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.492 ' HB2' ' HB3' ' A' ' 57' ' ' ALA . 91.7 mmm -79.57 133.58 36.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.428 -175.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 178.36 141.73 4.42 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.867 177.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -153.52 168.28 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.913 0.356 . . . . 0.0 110.781 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -109.06 130.52 55.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -104.99 106.5 17.02 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -123.36 141.83 51.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.233 -176.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -158.42 163.36 32.94 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.754 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.9 m -112.95 132.46 55.33 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 120.747 0.308 . . . . 0.0 110.696 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -80.31 105.49 11.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.152 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 p -84.38 -40.3 18.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.835 0.35 . . . . 0.0 110.696 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.52 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 53.4 mmtt -133.59 126.56 31.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.5 0.667 . . . . 0.0 111.945 178.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 58.0 t -125.5 108.08 19.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.765 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.593 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 47.4 t -108.95 109.19 27.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 174.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.475 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 41.7 tt0 -60.07 124.68 20.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.993 -172.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.647 HD21 ' HA2' ' A' ' 14' ' ' GLY . 12.0 m120 65.41 24.71 11.99 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.287 -0.869 . . . . 0.0 112.128 176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.493 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.1 tttt -139.88 -64.68 0.48 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.547 -0.461 . . . . 0.0 112.129 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.593 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 10.3 ptm85 -150.67 139.0 20.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.245 0.545 . . . . 0.0 111.5 -174.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 37.0 mt -118.23 107.73 22.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.807 177.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.52 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 49.8 mt-10 -106.97 112.67 25.74 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -134.82 164.94 26.44 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.231 0.538 . . . . 0.0 111.575 -175.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.76 120.83 35.77 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.915 177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.418 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 12.7 p90 -111.38 108.1 17.56 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.529 0.68 . . . . 0.0 110.22 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.32 -111.62 3.56 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.244 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -109.72 -0.13 18.66 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 176.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -105.07 163.82 12.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.387 -177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 7.3 t -136.66 146.09 45.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.924 0.393 . . . . 0.0 110.556 176.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -144.27 142.6 30.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.203 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 10.0 ptpp? -118.8 125.57 49.88 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.332 0.587 . . . . 0.0 110.221 176.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.38 110.14 26.73 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.526 177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -107.07 133.67 51.35 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 120.868 0.366 . . . . 0.0 110.149 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -99.59 103.82 15.56 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.559 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.6 mt -88.75 115.62 26.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.955 -177.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.99 106.68 12.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.348 -176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.46 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.26 160.76 25.29 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.99 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 24.0 Cg_endo -62.82 -22.88 74.23 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.498 2.132 . . . . 0.0 112.904 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG3' HG21 ' A' ' 8' ' ' THR . 7.9 pt20 -92.76 -9.88 38.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.633 0.254 . . . . 0.0 111.244 -178.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 147.04 -163.47 28.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.727 -176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 HG21 ' HB ' ' A' ' 13' ' ' VAL . 42.2 t -104.66 119.49 53.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 117.099 0.449 . . . . 0.0 111.281 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.565 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 35.9 m -85.25 110.28 18.94 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.257 177.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.558 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 45.7 t -81.24 106.08 11.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.569 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.411 ' HD2' HD11 ' A' ' 93' ' ' LEU . 35.8 ttt180 -104.05 113.38 26.88 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.505 -176.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -111.1 108.35 25.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.861 0.362 . . . . 0.0 110.882 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 49.3 m -104.03 116.71 32.72 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -130.69 153.69 48.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.165 0.507 . . . . 0.0 111.414 -176.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.6 134.24 29.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.927 175.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -130.69 146.85 52.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.878 -176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -73.98 152.08 40.14 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.735 176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.6 p -95.12 -21.32 18.6 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.363 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -80.74 -5.85 57.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.526 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -110.46 147.27 36.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.616 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.59 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 39.4 Cg_exo -57.63 106.19 0.23 Allowed 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.613 2.209 . . . . 0.0 112.129 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.511 HG13 HD11 ' A' ' 3' ' ' ILE . 86.7 t -55.64 -43.08 71.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.249 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.99 -41.62 92.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.974 179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 29.2 tt0 -63.15 -41.91 99.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.781 -179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 30.2 mt-30 -67.34 -48.21 68.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.22 0.534 . . . . 0.0 109.823 179.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -59.18 -52.12 67.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.556 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -67.12 -28.64 68.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.031 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.451 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.56 -52.71 49.3 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.584 175.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 47.0 m95 -66.55 -37.41 84.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.704 0.288 . . . . 0.0 110.791 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -61.26 -41.71 97.38 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.97 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.6 178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 119' ' ' GLY . 73.6 mt -61.05 -42.64 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.374 176.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 79.8 mt -62.8 -37.09 85.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.24 179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -62.94 -43.02 99.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 0.0 110.492 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 52.6 t30 -67.44 -44.94 77.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.346 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.448 ' O ' HG23 ' A' ' 131' ' ' VAL . 55.0 t80 -59.14 -50.26 74.72 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.679 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -50.15 -56.63 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.161 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 129' ' ' ARG . 5.4 mmt180 -65.0 -34.99 79.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.953 -176.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -62.75 -39.6 94.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 127' ' ' PHE . 46.1 t -70.81 -40.05 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 120.979 0.419 . . . . 0.0 110.337 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -74.24 -25.92 59.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.653 -177.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 78.8 p -87.32 -16.04 36.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.935 0.398 . . . . 0.0 110.168 175.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 59.3 t60 -77.21 -15.24 59.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.676 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.31 108.46 4.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.822 176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -83.24 148.09 27.62 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.982 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 3.6 p-80 -138.9 100.75 4.13 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.501 0.667 . . . . 0.0 111.025 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -122.52 -176.19 3.32 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.6 t60 -76.77 72.81 3.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 169.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 6.9 t60 51.14 -106.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.241 -169.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 78.0 t60 63.89 -60.06 0.18 Allowed 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.36 0.664 . . . . 0.0 111.983 -178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.525 -0.75 . . . . 0.0 110.23 -176.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.549 ' HB3' ' HB3' ' A' ' 107' ' ' ALA . 9.3 mmt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.098 0.475 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.3 98.58 5.32 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.267 0.556 . . . . 0.0 109.954 177.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.3 mt -93.67 135.25 28.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.593 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.4 m -121.24 111.31 17.22 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.049 0.452 . . . . 0.0 110.327 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.451 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.8 m -113.66 142.07 27.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.81 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.3 pt-20 -142.95 164.64 29.54 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 0.0 111.542 -174.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.2 t -159.4 151.5 20.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.973 173.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 51.4 m -110.88 116.68 31.65 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 -175.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.428 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.6 t -93.68 147.24 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.455 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.37 11.83 20.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.157 0.503 . . . . 0.0 111.222 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -104.59 150.03 38.1 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.376 -178.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -58.8 152.91 53.74 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 122.737 2.291 . . . . 0.0 112.138 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 p -57.53 -27.15 28.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.43 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.3 -40.94 98.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.586 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -80.52 -36.88 32.59 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.624 -0.339 . . . . 0.0 110.363 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.46 HG22 HG11 ' A' ' 131' ' ' VAL . 41.2 t -65.28 -42.12 93.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.485 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.6 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 54.9 t-105 -62.02 -51.75 66.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.947 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 63.4 mtt180 -64.91 -41.46 95.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 112.032 -175.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.26 -31.77 73.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.845 0.355 . . . . 0.0 111.459 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -84.96 -17.53 37.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.107 -176.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.3 p -108.12 -30.12 8.58 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.516 ' O ' HG13 ' A' ' 26' ' ' ILE . 27.2 m -73.36 116.7 53.76 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 0.0 110.619 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 10.9 Cg_endo -54.53 -45.26 42.33 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.255 2.637 . . . . 0.0 112.829 -176.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 48.5 mm-40 -70.2 -15.42 62.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' HB2' ' HB ' ' A' ' 22' ' ' THR . 4.2 t70 -89.58 -43.61 10.66 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 177.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.674 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 81.8 mt -52.43 -43.2 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.889 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 55.5 mtmt -61.44 -12.24 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -97.39 -8.01 30.48 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.752 0.279 . . . . 0.0 111.752 -177.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.674 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 60.5 p-90 -131.73 -15.17 3.11 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -74.92 94.31 2.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.67 111.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.069 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.37 -6.43 59.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.35 0.595 . . . . 0.0 110.358 176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.4 t -161.42 150.96 16.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.027 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -80.36 -1.3 40.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.675 0.274 . . . . 0.0 110.765 178.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.82 -16.03 60.15 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.16 0.505 . . . . 0.0 109.751 172.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -111.82 152.15 28.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.298 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.574 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.5 p80 -141.95 135.49 29.43 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -83.85 110.97 18.79 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 175.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.574 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.1 OUTLIER -83.41 -41.77 17.74 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.549 -174.123 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.84 156.84 42.06 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.352 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.77 118.13 4.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.773 0.32 . . . . 0.0 110.97 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.4 m -112.94 115.0 27.74 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.4 t -125.53 122.49 62.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.918 -176.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -111.2 96.84 6.37 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.0 tp -78.99 101.31 7.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.751 -172.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -175.73 164.09 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.966 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -69.8 103.59 2.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.936 0.398 . . . . 0.0 110.143 178.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.67 -3.86 29.21 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.636 -0.792 . . . . 0.0 111.471 -175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -87.62 151.54 23.34 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -116.07 161.21 19.24 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.082 0.467 . . . . 0.0 110.969 -177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.417 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.6 p90 -130.33 144.11 51.18 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.93 175.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -143.75 122.2 12.42 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.157 177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.3 t -128.15 136.35 51.02 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.144 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -89.4 105.2 17.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.296 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 87.6 mtp -104.85 113.79 27.6 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.202 -0.666 . . . . 0.0 109.202 175.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -122.88 149.45 44.2 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.709 -174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -84.68 142.83 29.61 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.38 -26.95 68.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.72 0.295 . . . . 0.0 111.695 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -87.32 -5.09 59.04 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.957 0.408 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.43 4.9 70.97 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.634 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.2 p -68.3 -40.94 81.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.34 0.59 . . . . 0.0 111.169 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mtp -133.32 162.85 30.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.437 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 167.32 138.25 2.4 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -151.29 163.18 39.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.197 0.523 . . . . 0.0 111.232 -175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -91.43 100.55 13.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.662 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -75.82 105.7 7.0 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -137.03 142.96 42.48 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 -174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.88 175.77 39.99 Favored Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 178.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -124.62 137.34 54.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 117.13 0.465 . . . . 0.0 111.202 -177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -78.8 98.16 6.2 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -90.48 -23.67 20.91 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.562 -176.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 1.0 OUTLIER -148.14 114.79 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.948 0.404 . . . . 0.0 109.935 -177.025 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.457 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -139.37 133.22 38.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 111.087 -174.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.722 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -132.54 111.39 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.6 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 32.3 tt0 -60.01 135.62 57.77 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.393 -0.821 . . . . 0.0 112.385 -170.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 72.0 3.19 4.59 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.004 -0.998 . . . . 0.0 112.326 178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.816 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 10.2 mmpt? -113.81 -77.42 0.58 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.612 0.244 . . . . 0.0 110.906 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -158.16 163.35 37.65 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 111.196 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.457 HG23 HG22 ' A' ' 73' ' ' VAL . 60.2 mt -127.62 126.24 66.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.677 -179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.2 mt-10 -113.65 110.48 20.28 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -119.78 146.53 45.59 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 110.338 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -118.85 145.44 45.67 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.381 0.61 . . . . 0.0 111.484 -175.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -134.61 104.65 6.15 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.661 175.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.45 -121.82 9.13 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.468 -0.872 . . . . 0.0 111.155 -173.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -103.64 -2.66 26.25 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.033 0.444 . . . . 0.0 110.8 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 50.8 mtm-85 -107.08 152.05 24.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.024 0.44 . . . . 0.0 110.513 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.4 t -139.37 155.95 47.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.715 -174.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.32 130.16 34.59 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.554 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 104' ' ' SER . 14.8 ptpt -113.78 131.1 56.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.15 0.5 . . . . 0.0 110.465 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 103' ' ' VAL . 46.5 t -111.95 111.84 37.89 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.63 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -106.52 134.17 50.08 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.873 0.368 . . . . 0.0 110.451 -177.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -105.81 103.51 13.03 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.7 mt -108.28 134.22 51.41 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -76.06 114.94 15.27 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.276 0.56 . . . . 0.0 110.598 -178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.84 160.15 27.34 Favored Pre-proline 0 C--N 1.313 -1.01 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.564 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.405 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 12.8 Cg_endo -58.1 -24.27 65.33 Favored 'Trans proline' 0 CA--C 1.53 0.277 0 C-N-CA 122.235 1.957 . . . . 0.0 112.371 177.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -101.88 5.37 40.94 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.71 -130.35 4.51 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.584 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.48 118.12 54.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.945 0.402 . . . . 0.0 110.612 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 58.4 m -88.43 110.25 20.67 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.202 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -85.18 105.44 14.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.258 177.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -106.48 110.28 22.44 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.096 -176.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 90' ' ' VAL . 47.3 t -107.11 111.92 37.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.799 -177.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.452 ' O ' ' HG2' ' A' ' 89' ' ' LYS . 10.9 t -107.43 118.42 36.69 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 177.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.462 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 52.9 p90 -127.59 154.46 45.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.059 0.457 . . . . 0.0 111.213 -175.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 74.3 t -87.14 116.66 29.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.778 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.549 ' HB3' ' HB3' ' A' ' 1' ' ' MET . . . -89.15 146.72 24.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.113 -175.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -95.87 130.06 42.94 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.499 HG23 ' HG3' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.25 1.74 31.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -170.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -93.97 7.8 43.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.207 0.527 . . . . 0.0 111.043 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 70.5 m-85 -127.97 148.72 68.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.531 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 52.9 Cg_exo -52.72 120.25 7.24 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.403 2.069 . . . . 0.0 112.048 179.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.424 HG13 HD11 ' A' ' 3' ' ' ILE . 48.8 t -59.49 -45.46 93.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.405 -174.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.474 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 0.9 OUTLIER -68.71 -33.92 74.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.526 -177.566 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -61.89 -40.67 96.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.949 0.404 . . . . 0.0 109.956 178.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.531 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 50.4 mt-30 -68.37 -50.21 54.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.798 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -56.43 -48.87 76.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.525 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 27.8 mm-40 -68.69 -37.97 79.97 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.456 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.9 -53.36 46.49 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.184 -0.531 . . . . 0.0 112.405 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.472 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 80.5 m95 -60.03 -40.13 88.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 110.703 178.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -62.78 -44.23 96.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.327 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -43.33 94.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.576 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 119' ' ' GLY . 78.4 mt -59.16 -45.14 92.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.591 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.76 -41.16 99.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.731 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -67.99 -42.0 81.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.822 0.344 . . . . 0.0 110.603 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -63.97 -39.32 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.538 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.7 t80 -60.86 -50.88 71.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.576 175.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.588 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 59.6 tttp -52.61 -53.27 49.14 Favored 'General case' 0 C--N 1.332 -0.16 0 O-C-N 123.294 0.372 . . . . 0.0 110.993 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 45.1 mtp180 -57.66 -33.62 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.102 0.477 . . . . 0.0 110.857 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -75.05 -29.14 60.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.055 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 127' ' ' PHE . 40.3 t -82.13 -35.03 12.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 75.1 mm-40 -59.79 -36.75 77.37 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.221 0.534 . . . . 0.0 109.953 175.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 p -81.24 3.22 24.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.394 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -95.75 3.14 54.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.451 0.643 . . . . 0.0 109.454 171.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 90.5 mt -99.89 99.1 9.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.302 174.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.753 ' HB3' ' HA ' ' A' ' 140' ' ' HIS . 3.0 tm-20 -118.55 106.17 12.38 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.116 -173.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 62.08 -86.07 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 -170.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -173.17 19.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.686 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -173.06 10.89 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.025 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.753 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 5.3 t-80 61.28 -173.76 0.13 Allowed 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -171.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -150.32 149.49 30.19 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 121.814 -0.553 . . . . 0.0 110.823 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.245 0.847 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 167.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 tpt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -115.53 132.29 56.67 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.762 0.315 . . . . 0.0 110.189 179.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.5 mt -108.41 134.09 51.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.767 177.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.1 m -105.8 111.24 23.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.843 0.354 . . . . 0.0 110.277 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -113.4 135.12 53.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 176.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.586 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 6.5 pt-20 -150.51 146.09 26.39 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.127 0.489 . . . . 0.0 111.341 -174.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 t -141.06 138.02 33.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.967 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.5 m -92.52 112.45 24.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.86 0.362 . . . . 0.0 110.687 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.8 t -97.25 144.04 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.874 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.47 11.56 1.95 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.48 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -111.06 151.16 42.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.786 -0.188 . . . . 0.0 110.833 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.45 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.6 Cg_exo -70.54 164.58 34.81 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.12 2.547 . . . . 0.0 112.044 177.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.449 ' N ' HG21 ' A' ' 99' ' ' VAL . 12.0 p -56.83 -32.86 39.83 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.982 -174.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.13 -52.61 50.89 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.943 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 66.9 mttm -64.72 -38.58 91.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.88 0.372 . . . . 0.0 110.688 -179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.2 t -65.33 -51.19 67.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.696 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.505 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 28.1 t-105 -53.62 -46.67 70.54 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.832 179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -60.17 -49.99 75.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.937 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.92 -20.15 61.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.746 0.308 . . . . 0.0 111.753 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -86.71 -24.88 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 -177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.504 ' HB ' HD22 ' A' ' 45' ' ' LEU . 20.5 p -102.95 -14.02 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -175.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.52 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.5 m -83.11 111.22 28.82 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 122.345 -0.222 . . . . 0.0 110.597 178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.495 ' HA ' HD12 ' A' ' 26' ' ' ILE . 14.8 Cg_endo -57.39 -27.62 76.62 Favored 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.189 2.593 . . . . 0.0 112.673 -177.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HA ' ' OE1' ' A' ' 24' ' ' GLU . 4.4 tp10 -70.04 -43.56 71.01 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.943 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -67.52 -37.63 83.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.304 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 22' ' ' THR . 69.5 mt -54.94 -40.93 55.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.568 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 51.3 mttp -58.92 -17.29 23.11 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 120.836 0.35 . . . . 0.0 111.68 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.527 ' OE1' ' HE1' ' A' ' 130' ' ' HIS . 96.6 mt-30 -100.34 -12.24 19.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.542 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 51.5 p-90 -127.29 -9.74 5.82 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 120.007 -0.677 . . . . 0.0 112.583 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -81.05 58.24 3.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.546 0.689 . . . . 0.0 110.427 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -158.19 125.56 5.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.02 -0.991 . . . . 0.0 109.469 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.76 -28.22 62.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.257 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.4 m -146.43 160.99 41.35 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 -178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -73.02 -7.99 53.7 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.851 0.358 . . . . 0.0 111.306 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -73.55 -19.76 60.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.466 0.65 . . . . 0.0 109.503 176.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.473 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 60.0 m95 -102.51 162.79 12.64 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.578 177.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -148.93 132.14 16.43 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 m -76.81 105.66 8.01 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.25 -35.79 25.07 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.566 -172.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' O ' ' HA ' ' A' ' 53' ' ' SER . . . -148.69 133.54 18.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.121 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' HB3' ' HG2' ' A' ' 27' ' ' LYS . . . -147.6 110.44 4.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.939 0.4 . . . . 0.0 111.037 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.1 m -121.54 124.11 43.61 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.657 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 51' ' ' PHE . 93.3 t -128.9 121.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.778 0.323 . . . . 0.0 111.41 -174.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.67 102.35 13.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.893 172.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.504 HD22 ' HB ' ' A' ' 21' ' ' THR . 60.0 tp -80.77 91.76 5.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.485 0.66 . . . . 0.0 110.32 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.533 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -166.79 154.38 9.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.065 -0.97 . . . . 0.0 109.513 -178.846 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.33 109.29 6.74 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.57 -0.529 . . . . 0.0 109.57 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.56 2.59 46.99 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.533 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -93.81 153.99 21.44 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.675 -0.57 . . . . 0.0 111.675 178.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -114.17 161.89 17.21 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.923 0.392 . . . . 0.0 111.212 -176.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.552 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.5 p90 -134.76 147.41 50.0 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.845 175.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -139.05 117.08 11.7 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.217 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 40' ' ' ALA . 23.0 t -129.79 108.6 10.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.758 -178.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.562 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 36.9 ttp-105 -85.75 115.82 23.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.302 0.572 . . . . 0.0 110.683 -177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 84.9 mtp -100.14 114.54 28.0 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.323 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 41.6 mt-10 -121.57 163.1 19.46 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.109 178.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -92.31 149.8 21.22 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 174.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -66.69 -15.64 63.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.916 0.388 . . . . 0.0 111.577 -178.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -85.42 -14.97 44.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.314 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.99 0.56 82.69 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.625 -173.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.8 t -63.34 -44.66 94.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.092 0.472 . . . . 0.0 110.738 -178.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 96.0 mmm -120.54 154.68 35.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.295 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.559 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 178.78 138.56 3.23 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.92 -0.657 . . . . 0.0 111.854 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -163.37 142.12 8.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.691 0.281 . . . . 0.0 110.603 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.562 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 m-20 -83.61 106.13 15.09 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 176.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -77.54 107.14 9.78 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.67 140.62 44.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.976 -176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -150.74 166.21 30.26 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.618 178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 18.1 m -132.33 130.28 40.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.754 0.277 . . . . 0.0 110.294 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -77.66 109.95 12.08 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -84.42 -30.75 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.987 0.422 . . . . 0.0 110.639 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 31.5 ttmt -149.21 136.42 19.97 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.107 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 61.6 t -125.42 104.31 13.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.145 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.56 HG11 ' HD2' ' A' ' 77' ' ' LYS . 23.3 t -105.66 105.52 18.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.1 tt0 -58.76 137.25 57.77 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.506 -174.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 49.29 28.28 2.22 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.591 1.156 . . . . 0.0 113.001 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.56 ' HD2' HG11 ' A' ' 74' ' ' VAL . 38.7 ttmt -137.86 -68.72 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 O-C-N 122.157 -0.339 . . . . 0.0 111.622 176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.465 ' NH1' ' HD2' ' A' ' 89' ' ' LYS . 9.3 ptp180 -149.5 143.76 25.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.224 0.535 . . . . 0.0 111.72 -173.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 58.1 mt -117.37 118.57 59.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.735 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 52.2 mt-10 -112.97 117.55 32.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.843 0.354 . . . . 0.0 110.076 179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -140.23 153.54 46.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.015 0.436 . . . . 0.0 110.737 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.421 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.86 125.01 50.89 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.193 178.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -113.25 102.97 10.87 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.398 0.618 . . . . 0.0 109.967 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 74.5 -113.37 4.05 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.475 -176.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -107.48 -2.84 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.781 0.324 . . . . 0.0 111.042 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.532 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 76.4 mtm180 -113.98 151.5 32.27 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.357 -178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.1 t -125.3 156.86 37.97 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.408 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -136.38 138.66 41.81 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.281 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HD2' ' NH1' ' A' ' 78' ' ' ARG . 28.7 ttpt -113.3 111.5 22.13 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.426 HG13 HG22 ' A' ' 103' ' ' VAL . 48.6 t -96.11 111.82 27.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.3 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -108.35 134.17 51.53 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.29 -0.414 . . . . 0.0 109.93 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -103.01 104.09 14.25 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.476 HD11 ' HD3' ' A' ' 102' ' ' ARG . 50.0 mt -96.26 108.4 20.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.445 -176.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.642 ' HG2' HG22 ' A' ' 99' ' ' VAL . 29.2 mt-10 -80.52 107.27 13.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.535 0.684 . . . . 0.0 110.89 178.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.82 161.06 23.97 Favored Pre-proline 0 C--N 1.309 -1.185 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.788 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.3 Cg_endo -60.8 -19.87 63.53 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 122.495 2.13 . . . . 0.0 112.684 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -99.83 5.13 45.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.321 . . . . 0.0 110.822 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 129.35 175.97 14.25 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.775 -0.726 . . . . 0.0 111.969 -178.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.642 HG22 ' HG2' ' A' ' 94' ' ' GLU . 92.4 t -91.45 123.33 43.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.083 0.468 . . . . 0.0 110.748 -178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 55.8 m -94.63 115.88 28.09 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.232 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.53 105.59 11.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.476 ' HD3' HD11 ' A' ' 93' ' ' LEU . 18.4 ttt180 -105.42 107.79 18.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.352 -174.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.426 HG22 HG13 ' A' ' 90' ' ' VAL . 45.5 t -108.53 110.36 31.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -177.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 25.6 m -100.41 106.72 18.33 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 48.1 p90 -115.88 150.48 36.98 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.69 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.532 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 85.9 t -71.74 123.49 26.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.911 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.68 146.89 27.92 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.324 -178.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.62 129.04 35.84 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.182 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 21.9 p -73.22 -17.39 61.35 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.912 -179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -94.14 6.36 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -123.18 150.68 60.51 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.895 175.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -58.56 131.0 39.96 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.567 2.178 . . . . 0.0 112.254 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 48.2 t -64.21 -37.89 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.662 178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -57.8 -52.78 64.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.892 177.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.88 -52.74 61.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.338 -178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.43 -41.09 96.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.69 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -69.41 -46.97 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.578 0.228 . . . . 0.0 110.808 -178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -64.49 -41.07 96.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.048 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.406 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -59.75 -51.22 60.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.113 -0.565 . . . . 0.0 112.585 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.9 m95 -67.33 -36.3 81.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.559 0.218 . . . . 0.0 111.129 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -65.88 -38.21 88.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.861 0.362 . . . . 0.0 110.255 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.06 82.62 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.722 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 119' ' ' GLY . 74.5 mt -66.52 -42.63 90.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.026 176.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.64 -39.43 93.84 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.873 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 94.3 m-20 -63.14 -42.87 99.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.738 178.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.542 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 55.5 t30 -67.3 -41.18 85.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.008 0.433 . . . . 0.0 109.984 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -61.48 -44.04 97.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.82 177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -57.32 -47.59 81.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.703 178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 41.7 mtm180 -59.6 -42.07 91.75 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.115 177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.527 ' HE1' ' OE1' ' A' ' 28' ' ' GLN . 39.2 t60 -58.04 -40.08 80.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.929 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 48.9 t -79.57 -50.79 17.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.122 -178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.549 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 76.5 mt-10 -65.96 -32.62 74.21 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -174.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.4 t -78.68 -11.45 59.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.874 0.368 . . . . 0.0 110.35 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -100.34 -8.83 22.92 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' A' ' 132' ' ' GLU . 76.5 mt -64.03 -42.13 97.2 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.365 178.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -92.31 121.33 33.71 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -147.89 13.58 1.02 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.248 -175.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -137.72 -37.2 0.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 43.88 78.8 0.05 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.108 0.963 . . . . 0.0 112.29 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -70.43 -33.93 71.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.776 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -102.79 -51.89 3.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.644 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.075 -0.964 . . . . 0.0 110.248 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -100.35 126.84 46.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.809 0.337 . . . . 0.0 111.164 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.553 HD11 HG13 ' A' ' 113' ' ' VAL . 63.2 mt -110.95 123.1 66.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 173.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.2 m -103.01 111.29 23.55 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.965 0.412 . . . . 0.0 110.319 179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.4 m -115.69 137.05 50.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.655 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.6 OUTLIER -133.6 160.81 36.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.541 0.686 . . . . 0.0 112.487 -175.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -151.85 119.6 6.13 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.829 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.628 ' O ' ' HE2' ' A' ' 128' ' ' LYS . 34.7 m -90.48 106.3 18.41 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.836 0.35 . . . . 0.0 110.852 -178.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.3 t -90.74 147.53 5.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.287 -177.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.49 12.18 12.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.798 0.333 . . . . 0.0 111.712 -177.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -105.04 149.95 38.19 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.743 -178.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.61 159.34 28.48 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.58 2.187 . . . . 0.0 111.918 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -60.68 -33.58 55.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -171.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.39 92.56 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.479 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -74.4 -38.82 62.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.719 0.295 . . . . 0.0 110.51 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.1 -41.71 79.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.306 178.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -55.49 -53.28 58.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.956 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -67.97 -37.06 81.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.436 -175.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -32.16 73.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.061 0.458 . . . . 0.0 110.973 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -84.48 -16.15 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.208 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.9 p -107.61 -19.47 13.54 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -175.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.56 ' O ' HG13 ' A' ' 26' ' ' ILE . 71.7 m -79.55 109.61 12.36 Favored Pre-proline 0 C--N 1.33 -0.275 0 O-C-N 122.42 -0.175 . . . . 0.0 110.935 -179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.44 -32.1 95.6 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.007 2.471 . . . . 0.0 113.005 -174.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -65.56 -45.61 82.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.743 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.48 -30.27 57.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.816 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 22' ' ' THR . 70.3 mt -56.04 -41.97 70.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.472 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 22.8 mtpp -59.41 -16.41 23.15 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.692 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -93.82 -37.41 11.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.57 -175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.483 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 40.2 p-90 -107.76 -10.94 15.5 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -175.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -85.71 87.92 7.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.371 0.605 . . . . 0.0 110.813 -177.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -157.57 117.18 3.34 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.317 178.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.1 -20.44 45.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.086 0.469 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.2 m -147.0 158.78 44.03 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.038 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -73.03 -1.56 17.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.176 0.512 . . . . 0.0 111.135 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -103.88 -2.04 26.83 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.207 0.527 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.6 m95 -129.63 155.74 45.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.882 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -163.69 152.89 14.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 177.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.458 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 14.6 m -74.1 114.06 12.0 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.5 p -83.88 -43.57 15.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.991 0.424 . . . . 0.0 110.838 -178.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.84 128.35 45.08 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.188 179.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.8 124.75 22.75 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.572 -178.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.5 m -138.32 113.67 9.5 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.917 176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.418 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.4 t -109.18 117.91 55.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.978 -176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -98.63 101.42 12.84 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.8 tp -84.75 93.41 8.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.089 0.471 . . . . 0.0 110.991 -173.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.439 ' HG2' ' HA3' ' A' ' 49' ' ' GLY . 14.9 ptp180 -163.26 155.99 18.62 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 174.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.31 112.31 10.34 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.31 -8.36 35.33 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.439 ' HA3' ' HG2' ' A' ' 46' ' ' ARG . . . -91.27 176.89 40.71 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.571 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.06 150.69 43.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.14 0.495 . . . . 0.0 111.76 -176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.418 ' HB2' HG22 ' A' ' 43' ' ' VAL . 31.2 p90 -116.38 144.25 44.52 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.683 175.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -118.15 116.49 26.93 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.134 177.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.6 t -113.46 108.33 17.04 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.605 179.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.617 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 19.6 ttp180 -91.3 98.74 11.89 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 121.126 0.488 . . . . 0.0 110.345 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 93.0 mmm -86.52 113.92 22.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.693 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG2' ' CA ' ' A' ' 63' ' ' GLY . 37.6 mt-10 -127.23 157.07 40.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.23 -179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.63 148.27 38.87 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.858 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -70.59 -13.11 61.96 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.977 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.47 -22.81 54.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.206 0.527 . . . . 0.0 110.397 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.34 -29.72 10.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.923 178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.1 p -62.09 -65.49 0.68 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.927 0.394 . . . . 0.0 111.907 -176.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 62.6 mtm -75.69 131.27 39.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.424 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.475 ' CA ' ' HG2' ' A' ' 56' ' ' GLU . . . -166.85 138.23 5.08 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.891 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -158.39 165.89 33.58 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.617 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 6.6 p-10 -126.28 141.94 51.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.026 0.441 . . . . 0.0 111.151 -179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -110.53 126.2 54.14 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.856 174.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.79 52.91 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.946 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.11 128.79 6.53 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.561 -0.828 . . . . 0.0 111.708 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 18.4 m -96.93 125.8 41.62 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.67 0.272 . . . . 0.0 110.542 -178.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -79.81 109.21 14.01 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.385 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.9 p -85.17 -27.36 26.21 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.188 0.518 . . . . 0.0 110.715 179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 32.7 ttmt -145.16 135.12 23.73 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.749 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.3 t -139.54 113.43 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.449 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.5 p -126.83 126.97 69.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 172.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.519 ' HG2' ' ND2' ' A' ' 76' ' ' ASN . 30.1 tt0 -67.01 130.97 44.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.975 -168.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.519 ' ND2' ' HG2' ' A' ' 75' ' ' GLU . 59.9 m-80 64.86 20.52 12.14 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.662 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.527 ' HB2' HG13 ' A' ' 74' ' ' VAL . 60.2 mttm -130.64 -70.46 0.61 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.512 ' HB2' ' HG2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -157.21 147.88 21.37 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.672 -0.411 . . . . 0.0 111.108 -176.301 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -128.24 111.71 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.686 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 2.0 mp0 -101.72 122.81 44.61 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 174.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -142.55 159.03 43.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.9 0.381 . . . . 0.0 111.18 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.549 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.5 148.84 45.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -142.06 117.02 9.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.115 0.483 . . . . 0.0 110.114 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 69.2 -114.15 5.6 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 -173.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -108.38 -10.42 15.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -90.51 165.63 13.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.323 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 13.6 t -143.69 149.72 37.62 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.15 130.52 25.31 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' CB ' ' HG3' ' A' ' 80' ' ' GLU . 9.7 ptmm? -113.83 127.54 56.04 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.202 0.525 . . . . 0.0 109.804 179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 61.9 t -110.68 107.83 23.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.125 -177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 78' ' ' ARG . 47.0 mt-10 -110.06 137.33 47.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.023 0.44 . . . . 0.0 111.176 -176.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -99.29 104.14 16.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.037 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.572 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 77.4 mt -90.84 105.23 17.68 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.986 179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.71 103.94 7.95 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.14 0.495 . . . . 0.0 110.382 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.535 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -108.76 165.76 12.07 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.445 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.535 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 30.7 Cg_endo -64.69 -16.2 54.05 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.219 1.946 . . . . 0.0 112.382 175.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -92.84 -14.09 28.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.324 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 143.66 -156.15 26.47 Favored Glycine 0 N--CA 1.445 -0.745 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 71.2 t -109.41 112.28 39.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.011 0.434 . . . . 0.0 110.572 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.614 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 30.5 m -83.46 107.86 16.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.208 177.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.51 105.51 11.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 176.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.41 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 26.4 ttt180 -105.72 110.67 23.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.834 -176.245 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.5 t -105.35 113.45 42.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.438 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.2 m -105.31 109.66 21.72 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -121.09 151.45 39.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.132 0.492 . . . . 0.0 110.99 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.7 t -87.53 115.64 28.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.127 176.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.3 147.63 22.75 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.367 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 8.2 tp10 -80.7 136.41 36.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 177.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 p -78.46 -24.79 45.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.073 0.463 . . . . 0.0 110.933 -177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 5.2 mm-40 -77.72 -20.91 52.72 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.004 -178.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -97.18 156.83 35.85 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.105 176.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 115' ' ' GLN . 31.2 Cg_exo -59.38 106.96 0.33 Allowed 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.703 2.269 . . . . 0.0 112.209 -178.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.553 HG13 HD11 ' A' ' 3' ' ' ILE . 84.4 t -61.78 -38.63 80.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.795 -178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 118' ' ' GLN . 12.8 tp10 -57.69 -53.86 53.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.59 178.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 112' ' ' PRO . 53.1 mt-30 -64.47 -34.96 79.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.479 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -62.64 -46.72 86.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.774 0.321 . . . . 0.0 110.35 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -63.82 -52.45 60.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.154 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 76.6 mm-40 -62.6 -33.1 74.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.055 -176.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.26 -55.31 30.85 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.911 177.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.47 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 55.2 m95 -64.15 -39.77 94.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.561 0.22 . . . . 0.0 110.985 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.84 -43.04 99.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.607 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.97 -39.55 93.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.928 0.394 . . . . 0.0 110.752 178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 119' ' ' GLY . 79.0 mt -64.82 -42.81 95.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.395 177.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 120' ' ' TRP . 65.3 mt -62.56 -35.81 80.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.636 0.255 . . . . 0.0 111.557 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -63.71 -50.33 69.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.755 176.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -65.98 -39.14 90.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.498 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 131' ' ' VAL . 58.0 t80 -58.75 -52.03 67.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.395 175.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.628 ' HE2' ' O ' ' A' ' 8' ' ' THR . 43.5 tttm -52.64 -56.7 13.54 Favored 'General case' 0 CA--C 1.521 -0.154 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.696 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 77.5 mtm-85 -63.34 -28.96 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.291 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -70.3 -37.18 74.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 176.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 127' ' ' PHE . 56.3 t -71.59 -38.76 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 42.0 mm-40 -57.42 -43.3 83.68 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 173.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.732 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 30.9 t -73.88 -23.67 59.62 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.041 178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.06 -26.47 64.97 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.556 HD11 ' HB2' ' A' ' 11' ' ' ALA . 39.9 mt -77.95 -48.5 16.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.394 -0.821 . . . . 0.0 108.957 170.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.732 ' HB3' ' HA ' ' A' ' 133' ' ' SER . 35.2 tt0 -51.59 -42.72 62.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 114.249 -1.342 . . . . 0.0 112.443 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -72.81 -13.18 61.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.592 0.234 . . . . 0.0 111.409 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -99.74 101.68 12.91 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -98.48 100.63 11.9 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.323 -173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 68.48 177.67 0.25 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 122.285 1.04 . . . . 0.0 113.468 171.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -157.03 -168.94 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 113.618 -1.628 . . . . 0.0 107.557 173.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.225 -0.893 . . . . 0.0 108.735 175.341 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.558 ' HG2' HG23 ' A' ' 109' ' ' THR . 15.1 tpt . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.032 0.444 . . . . 0.0 110.478 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -142.73 144.01 32.49 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 176.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 67.7 mt -105.04 136.13 40.14 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.8 m -108.92 110.89 22.32 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.224 177.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.0 m -118.04 137.52 51.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.4 pt-20 -140.66 157.98 44.66 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.049 0.452 . . . . 0.0 111.413 -176.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -143.31 135.98 27.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.416 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.9 m -97.19 105.01 17.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.857 0.36 . . . . 0.0 110.631 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.458 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.7 t -95.66 140.79 16.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -87.83 12.42 13.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.041 0.448 . . . . 0.0 111.261 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -97.93 158.13 33.4 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.585 -177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.541 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 17.3 Cg_exo -65.31 153.76 76.74 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.446 2.098 . . . . 0.0 110.9 172.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.52 -23.25 32.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.317 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.466 ' HA2' HD21 ' A' ' 76' ' ' ASN . . . -67.11 -43.24 90.76 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.428 178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -73.87 -39.56 63.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.636 0.255 . . . . 0.0 110.588 -178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.81 -41.16 87.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.137 176.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.468 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 52.7 t-105 -59.25 -48.69 80.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.046 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -59.3 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.795 -176.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.46 -33.26 73.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.938 0.399 . . . . 0.0 111.289 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -81.04 -17.68 49.34 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.205 -176.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 45' ' ' LEU . 32.6 p -113.2 3.11 15.86 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.251 0.464 . . . . 0.0 112.251 -176.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.581 ' O ' HG13 ' A' ' 26' ' ' ILE . 61.4 m -101.48 99.29 10.99 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.506 175.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.491 ' HB3' HG23 ' A' ' 43' ' ' VAL . 11.8 Cg_endo -56.2 -36.88 97.2 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.904 2.403 . . . . 0.0 113.154 -175.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.71 -34.51 75.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.919 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -85.58 -33.9 21.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.21 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.589 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 75.6 mt -53.51 -36.7 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.863 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -56.49 -13.64 2.47 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.039 -0.528 . . . . 0.0 112.342 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -101.15 -15.26 17.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 60.7 p-90 -131.37 2.97 4.23 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.474 -0.49 . . . . 0.0 112.245 -179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' HB2' HG22 ' A' ' 26' ' ' ILE . 3.5 t-20 -78.92 11.97 2.41 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.547 0.689 . . . . 0.0 110.453 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.99 110.22 22.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.076 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.07 -7.86 59.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.632 0.73 . . . . 0.0 109.485 173.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -150.42 144.62 25.55 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.701 -1.222 . . . . 0.0 107.701 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -69.23 -30.15 68.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.693 0.282 . . . . 0.0 111.364 -173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -74.12 -7.81 53.93 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.028 0.442 . . . . 0.0 110.447 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.9 m95 -104.67 140.16 38.44 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.002 0.43 . . . . 0.0 110.003 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -149.01 144.25 26.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 -177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -89.65 112.97 24.37 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.895 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 p -83.25 -41.56 18.21 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.098 0.475 . . . . 0.0 111.249 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -138.14 141.76 40.13 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.784 178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.21 105.83 3.96 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.917 0.389 . . . . 0.0 110.889 -179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -98.11 112.74 24.59 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 23' ' ' PRO . 73.0 t -115.17 110.17 31.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.24 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -95.7 91.21 5.99 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.8 tp -78.32 93.85 4.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.42 -172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 46' ' ' ARG . 7.0 ptt180 -164.02 153.6 14.32 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -73.69 104.38 4.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.166 0.508 . . . . 0.0 109.662 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 116.83 -5.15 18.68 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -86.17 -164.98 40.2 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.104 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.05 157.49 39.1 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.929 0.395 . . . . 0.0 111.303 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -127.61 146.56 50.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.267 177.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 t -139.44 121.48 15.7 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 24.2 p -126.85 133.7 50.67 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.661 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 38' ' ' THR . 19.5 mmm180 -91.46 94.39 9.45 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.827 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.4 mtp -90.77 113.43 25.55 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -132.35 167.13 20.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.203 -174.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.81 149.27 27.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.545 177.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 53.4 mttm -75.88 -48.4 21.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.979 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -107.68 -22.7 12.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.211 -174.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.45 -153.49 30.29 Favored Glycine 0 N--CA 1.431 -1.661 0 C-N-CA 119.923 -1.132 . . . . 0.0 112.605 -175.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.97 -7.57 11.95 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.403 -0.898 . . . . 0.0 110.996 -174.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mtp -74.17 149.37 40.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.467 -173.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 173.64 142.56 3.95 Favored Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.384 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -141.71 162.3 35.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.88 0.371 . . . . 0.0 111.219 -177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.22 102.87 15.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.979 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -88.2 105.94 17.86 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -136.19 160.3 39.09 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.204 -174.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -171.09 155.26 24.23 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.9 m -101.96 124.2 47.16 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.917 0.358 . . . . 0.0 110.74 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -67.25 108.97 2.91 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.4 m -92.18 -38.75 11.95 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.852 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 6.2 tmtm? -142.91 124.27 14.7 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 177.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 66.8 t -133.0 115.08 22.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 0.0 111.191 -176.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.0 p -131.2 122.94 52.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.056 175.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.468 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 41.4 tt0 -60.89 134.45 57.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.96 -172.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.466 HD21 ' HA2' ' A' ' 14' ' ' GLY . 14.0 m120 64.95 14.21 9.15 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.935 175.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.47 ' HB3' HG13 ' A' ' 74' ' ' VAL . 2.1 tmtt? -126.13 -72.0 0.67 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.427 -0.509 . . . . 0.0 111.262 -178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.795 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 12.0 ptt180 -154.62 151.26 28.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.249 0.547 . . . . 0.0 111.804 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.1 mt -127.91 109.47 19.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.353 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.577 ' HG2' ' CB ' ' A' ' 89' ' ' LYS . 41.7 mt-10 -110.07 124.75 52.04 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -178.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -139.97 142.74 36.33 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.321 0.581 . . . . 0.0 111.379 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -100.82 119.78 39.16 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.127 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -112.23 107.31 16.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.472 0.654 . . . . 0.0 109.987 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -112.87 4.24 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.914 -177.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -105.53 -2.58 23.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.02 0.438 . . . . 0.0 110.612 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 mtm-85 -115.85 169.08 9.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.784 -175.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.4 t -136.15 151.47 49.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.574 -178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.25 133.58 33.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.077 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.577 ' CB ' ' HG2' ' A' ' 80' ' ' GLU . 21.0 ptmt -119.32 129.0 54.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.272 0.558 . . . . 0.0 110.58 178.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 103' ' ' VAL . 41.3 t -110.59 111.07 34.54 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.834 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.795 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 7.3 mt-10 -107.19 136.57 46.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -96.07 103.25 15.13 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.017 176.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.588 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 69.9 mt -85.88 106.86 17.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.048 -176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -68.16 106.76 2.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.368 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.475 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.48 162.9 18.25 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.865 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.475 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 18.8 Cg_endo -59.26 -36.17 95.53 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.275 1.983 . . . . 0.0 111.971 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -86.41 -15.75 39.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.017 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.52 -130.28 2.29 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.254 -0.974 . . . . 0.0 112.605 -177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 97.1 t -132.97 120.35 40.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.914 0.388 . . . . 0.0 110.897 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 19.3 m -88.41 103.61 16.01 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 174.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 46.4 t -82.08 105.55 12.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.813 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -106.56 119.07 38.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.97 0.414 . . . . 0.0 110.968 -177.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG22 HG22 ' A' ' 90' ' ' VAL . 48.4 t -106.76 115.84 49.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.923 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.3 t -112.48 112.24 23.66 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 39.1 p90 -126.0 144.27 50.77 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.788 -176.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.9 t -71.63 126.31 31.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.584 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -124.59 147.75 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.272 -172.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -84.3 122.34 28.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.62 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.558 HG23 ' HG2' ' A' ' 1' ' ' MET . 0.8 OUTLIER -75.12 -3.8 34.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.309 0.576 . . . . 0.0 110.681 174.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -75.59 -15.58 60.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.978 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.442 ' HB3' ' HD2' ' A' ' 112' ' ' PRO . 78.1 m-85 -119.41 159.78 44.33 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.205 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 14.7 Cg_endo -56.39 104.46 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.569 2.179 . . . . 0.0 112.538 -179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.496 HG13 HD11 ' A' ' 3' ' ' ILE . 62.3 t -59.89 -38.41 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.59 -179.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -56.47 -43.9 80.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.329 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.37 -37.36 80.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.994 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.5 mt-30 -67.07 -45.86 76.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.165 0.507 . . . . 0.0 109.688 177.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -55.45 -54.13 47.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.281 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -67.47 -32.16 72.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.124 -177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.33 -52.52 43.12 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.404 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 46.1 m95 -69.32 -33.68 73.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.674 0.274 . . . . 0.0 110.916 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -64.9 -39.26 93.26 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.64 97.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.69 -47.76 91.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.375 177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.5 mt -67.5 -29.91 69.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.07 0.462 . . . . 0.0 111.081 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.578 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 8.8 t-20 -67.15 -49.26 65.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.55 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -68.3 -35.55 77.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.128 177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.537 ' O ' HG23 ' A' ' 131' ' ' VAL . 65.9 t80 -55.24 -49.49 71.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.304 175.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.59 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 63.2 tttp -56.1 -48.47 76.09 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.574 178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 11.0 mmt180 -55.19 -40.78 71.14 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.501 0.667 . . . . 0.0 110.416 -178.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -73.75 -30.62 62.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.154 -176.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.2 t -81.35 -37.44 15.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.791 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 80.4 mm-40 -59.56 -36.7 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.102 0.477 . . . . 0.0 110.229 176.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.3 p -79.4 2.58 21.2 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.409 179.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -99.59 -3.79 32.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.276 0.56 . . . . 0.0 109.707 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.4 mt -103.83 -57.93 1.96 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.635 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.76 150.77 29.12 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.938 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 69.16 104.99 0.06 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.49 0.716 . . . . 0.0 110.996 -178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -77.18 -16.89 58.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.409 0.624 . . . . 0.0 109.493 175.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -96.34 103.7 15.62 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 167.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -82.4 59.87 4.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.468 0.651 . . . . 0.0 110.423 -175.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 -166.33 107.12 0.68 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.78 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 44.4 t60 . . . . . 0 C--O 1.244 0.763 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.045 179.517 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -119.8 123.02 42.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.694 -178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 62.7 mt -104.52 126.28 59.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 m -112.32 115.89 29.49 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.581 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 ' HB ' ' OE1' ' A' ' 121' ' ' GLN . 17.2 m -114.34 141.46 30.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.461 . . . . 0.0 109.76 176.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.579 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 10.1 pt-20 -145.08 148.44 33.66 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.3 0.572 . . . . 0.0 111.913 -175.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.495 ' OG1' ' HD3' ' A' ' 128' ' ' LYS . 15.4 t -140.63 136.96 33.24 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.865 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 49.3 m -100.75 112.39 24.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.029 0.442 . . . . 0.0 110.837 -177.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' ALA . 10.7 t -96.49 143.81 11.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.319 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -79.47 7.37 8.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.694 0.283 . . . . 0.0 111.61 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -107.38 146.08 32.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.612 -176.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.85 150.65 87.67 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.819 2.346 . . . . 0.0 112.447 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -60.27 -28.34 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.692 -175.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.58 -36.53 93.34 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.591 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -82.81 -39.69 21.39 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.562 -0.376 . . . . 0.0 110.274 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.82 -39.3 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.47 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.458 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 56.0 t-105 -52.69 -50.35 63.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.502 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -79.57 -32.2 42.02 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.232 -175.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.72 71.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.084 0.469 . . . . 0.0 110.902 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -84.32 -17.56 39.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.813 -179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.1 p -109.8 -3.07 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.558 ' O ' HG13 ' A' ' 26' ' ' ILE . 74.3 m -95.62 108.88 42.73 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 110.453 -0.203 . . . . 0.0 110.453 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.463 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 52.7 Cg_exo -52.02 -42.18 60.08 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.54 2.827 . . . . 0.0 113.423 -173.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -62.77 -35.07 78.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.645 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' HA ' HE21 ' A' ' 28' ' ' GLN . 0.6 OUTLIER -84.11 -33.84 24.25 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -178.696 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.565 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 70.2 mt -52.99 -43.51 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.96 177.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 92.2 mttt -58.52 -18.79 32.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.691 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 25' ' ' ASP . 48.1 mt-30 -98.92 -7.7 26.73 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -173.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 39.4 p-90 -127.15 -18.87 4.47 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.287 -0.565 . . . . 0.0 112.086 176.686 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -78.09 94.8 4.74 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.239 0.543 . . . . 0.0 110.613 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.86 120.35 2.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.364 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -82.17 -13.68 56.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.159 0.504 . . . . 0.0 110.269 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.426 ' HB3' ' HD1' ' A' ' 36' ' ' TRP . 35.5 t -163.93 169.15 18.5 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -72.07 -8.58 55.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.961 0.41 . . . . 0.0 110.501 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.03 -30.77 20.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.62 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.426 ' HD1' ' HB3' ' A' ' 33' ' ' SER . 80.5 m95 -93.75 140.07 30.09 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.857 0.36 . . . . 0.0 110.706 -175.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.578 ' HE1' HG23 ' A' ' 39' ' ' THR . 4.3 p80 -147.44 148.1 30.91 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.328 -178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.466 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 9.8 m -81.49 108.48 15.11 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 172.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.578 HG23 ' HE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.32 -28.5 31.6 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.363 -174.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -154.91 144.8 21.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.065 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.71 120.72 7.16 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.937 0.399 . . . . 0.0 110.984 -177.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.9 m -128.74 113.23 15.07 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.55 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.1 t -115.7 129.42 72.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.68 -175.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -113.67 102.38 10.2 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.8 tp -85.75 94.63 9.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.585 -171.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -168.58 159.11 9.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.967 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.473 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 43.0 mt-10 -74.55 106.54 6.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.986 0.422 . . . . 0.0 109.967 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 114.97 -7.51 21.62 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 -173.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -92.24 -170.68 41.15 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.823 179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.28 164.97 37.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.856 0.36 . . . . 0.0 111.022 -177.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.55 ' HB2' HG22 ' A' ' 43' ' ' VAL . 30.8 p90 -127.57 142.68 51.3 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.937 176.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.7 p -115.3 111.01 20.25 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.999 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 66' ' ' PHE . 19.5 t -112.35 113.42 25.62 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.111 -177.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -85.48 96.46 9.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.64 178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 69.2 mmm -97.6 114.02 25.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.36 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 46.9 mt-10 -133.23 163.62 28.9 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.266 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.77 157.98 15.65 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.031 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -74.15 -13.37 60.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.386 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -23.11 61.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.112 0.482 . . . . 0.0 110.119 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.39 -6.14 63.15 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.081 -0.58 . . . . 0.0 113.315 174.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.5 m -98.63 -55.54 2.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.309 0.554 . . . . 0.0 111.243 -177.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 79.3 mtp -79.82 120.41 24.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.914 -174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.486 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . -165.32 141.97 7.4 Favored Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 177.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 p90 -150.57 166.49 30.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.916 0.389 . . . . 0.0 111.311 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.35 106.31 18.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.823 178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.412 ' HB3' ' HB3' ' A' ' 53' ' ' SER . 54.5 t80 -90.08 105.23 17.67 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 176.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.74 134.48 52.8 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.557 -175.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -136.74 136.33 8.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.787 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.6 m -96.37 124.94 40.54 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -75.13 109.72 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.871 0.367 . . . . 0.0 110.253 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.2 p -85.46 -40.34 16.5 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.138 -178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 9.1 tmtm? -152.62 129.76 11.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.188 0.518 . . . . 0.0 109.641 176.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.473 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 46.3 t -129.52 141.05 47.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.426 -178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.2 p -142.59 124.08 12.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.229 0.537 . . . . 0.0 110.365 175.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.458 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.4 tt0 -57.72 129.49 42.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.982 -1.008 . . . . 0.0 112.515 -172.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 63.5 23.65 13.74 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.687 174.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.59 ' HB3' HG13 ' A' ' 74' ' ' VAL . 83.1 tttt -134.54 -69.07 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.76 -178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' H ' HG13 ' A' ' 74' ' ' VAL . 20.8 ptt85 -158.49 150.99 21.94 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.373 0.606 . . . . 0.0 111.706 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 59.9 mt -121.77 120.08 60.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.341 175.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 89' ' ' LYS . 35.0 tt0 -112.42 123.63 50.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -133.22 142.87 48.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -110.73 134.47 52.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.746 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -128.21 99.01 5.28 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.665 0.745 . . . . 0.0 109.812 179.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.11 -120.94 7.42 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.697 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -97.45 1.68 49.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.786 0.326 . . . . 0.0 111.223 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.468 ' HG2' HG13 ' A' ' 106' ' ' VAL . 11.8 mtm180 -122.1 150.07 42.69 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.718 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.466 ' H ' HG12 ' A' ' 106' ' ' VAL . 11.3 t -133.72 150.63 51.51 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.73 134.25 49.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.556 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HG3' ' HG3' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -113.39 113.12 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 178.746 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.93 109.77 22.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.136 -0.483 . . . . 0.0 109.881 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -106.82 150.06 26.74 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.787 0.327 . . . . 0.0 110.433 -177.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -114.28 104.37 12.01 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.62 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.7 mt -105.39 108.48 20.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.638 -176.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' HG2' HG22 ' A' ' 99' ' ' VAL . 35.8 mt-10 -70.94 114.57 9.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.447 0.642 . . . . 0.0 111.191 179.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.8 159.32 29.99 Favored Pre-proline 0 C--N 1.315 -0.925 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.14 174.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 10.8 Cg_endo -55.39 -28.23 62.33 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.664 2.243 . . . . 0.0 113.188 -179.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' HG3' HG21 ' A' ' 8' ' ' THR . 4.1 pt20 -93.17 -10.47 35.71 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -177.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.77 179.26 29.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.665 -176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.525 HG22 ' HG2' ' A' ' 94' ' ' GLU . 57.8 t -90.2 117.47 33.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.022 0.439 . . . . 0.0 110.708 -177.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.502 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.9 m -88.88 108.79 19.73 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.438 179.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.406 HG21 ' HE2' ' A' ' 127' ' ' PHE . 48.7 t -82.21 114.08 22.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 175.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.579 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 10.8 ttp180 -114.63 118.36 33.46 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.759 -173.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.3 t -103.32 107.19 21.58 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.7 t -101.64 107.75 19.1 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -124.0 148.36 47.05 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.546 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.468 HG13 ' HG2' ' A' ' 86' ' ' ARG . 7.6 p -78.34 119.34 27.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-O 121.484 0.659 . . . . 0.0 109.254 175.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -84.77 147.43 26.86 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.032 -173.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.42 ' OE1' ' HB2' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -89.31 136.17 33.17 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 176.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.65 -14.01 49.81 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -168.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HB2' ' OE1' ' A' ' 108' ' ' GLU . 34.0 mm-40 -80.24 -25.82 39.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.206 0.527 . . . . 0.0 109.632 172.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 48.3 m-85 -82.52 139.44 44.36 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.07 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 25.3 Cg_exo -62.73 138.2 67.96 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.42 2.08 . . . . 0.0 111.808 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.07 -39.45 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.05 0.452 . . . . 0.0 110.259 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 10.6 mp0 -54.45 -53.78 49.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.664 178.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -57.79 -43.46 85.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.5 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -72.17 -49.26 37.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.518 -176.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -65.59 -57.9 7.05 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.958 -177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -67.32 -28.36 67.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.551 -175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -64.23 -55.26 24.74 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.01 177.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -67.59 -35.66 79.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 0.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.428 ' OE1' ' HB ' ' A' ' 5' ' ' VAL . 47.9 tp60 -65.63 -38.51 89.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.515 179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.94 93.7 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.889 0.376 . . . . 0.0 110.387 177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.1 mt -61.67 -44.69 99.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.971 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 74.2 mt -64.64 -29.51 70.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.584 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.64 -52.97 47.65 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.244 0.545 . . . . 0.0 109.951 175.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -60.59 -42.59 97.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.833 177.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.456 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.5 t80 -57.52 -55.07 39.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.764 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.521 ' HG3' ' N ' ' A' ' 129' ' ' ARG . 59.5 pttt -57.01 -48.84 77.51 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.8 -0.182 . . . . 0.0 111.273 -174.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.521 ' N ' ' HG3' ' A' ' 128' ' ' LYS . 15.3 ptt180 -75.25 -23.72 57.55 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.748 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.548 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 59.8 t60 -69.78 -41.02 75.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.702 176.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 127' ' ' PHE . 60.6 t -68.24 -42.16 84.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.386 . . . . 0.0 110.485 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 83.0 mt-10 -64.2 -42.91 96.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.8 p -75.25 -14.74 60.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.933 0.397 . . . . 0.0 110.665 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.548 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 2.4 t60 -84.75 -1.84 56.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.486 -178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 56.7 mt -77.99 8.78 4.26 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.73 0.776 . . . . 0.0 109.002 171.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.56 ' HG3' ' H ' ' A' ' 137' ' ' HIS . 9.4 pt-20 -48.57 -67.07 0.3 Allowed 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 113.828 -1.533 . . . . 0.0 113.716 -176.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.56 ' H ' ' HG3' ' A' ' 136' ' ' GLU . 17.9 m-70 -129.04 172.27 11.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.992 0.425 . . . . 0.0 111.536 -170.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.67 -1.94 31.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.539 173.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -113.12 147.87 36.45 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.215 178.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -82.86 106.97 15.12 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.287 -0.565 . . . . 0.0 109.724 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -59.56 117.65 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.416 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.25 1.093 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.8 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.576 ' HB2' HG23 ' A' ' 109' ' ' THR . 12.8 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.983 0.42 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -89.7 113.22 24.69 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.827 178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 59.8 mt -106.22 122.85 60.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 27.9 m -110.32 114.57 28.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.793 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.1 m -117.89 137.91 50.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 1.4 pp20? -143.71 147.84 34.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.149 0.5 . . . . 0.0 111.942 -177.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 t -151.24 151.42 31.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.365 176.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 13.8 m -99.06 137.42 37.61 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.153 0.501 . . . . 0.0 111.535 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.42 HG12 ' H ' ' A' ' 11' ' ' ALA . 38.2 t -109.53 140.92 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 174.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.46 11.96 6.24 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.42 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -109.44 150.54 41.29 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.696 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -62.53 161.75 26.83 Favored 'Trans proline' 0 C--O 1.238 0.494 0 C-N-CA 122.922 2.415 . . . . 0.0 112.221 177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.429 ' HA ' HG21 ' A' ' 99' ' ' VAL . 10.7 p -61.48 -30.62 48.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.714 -173.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.09 -33.84 85.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.698 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -81.21 -42.0 21.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.803 0.335 . . . . 0.0 110.458 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -66.14 -48.61 80.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.081 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.593 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 51.5 t-105 -58.06 -50.33 73.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.285 -177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -70.56 -35.19 72.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.652 -174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.23 -31.24 72.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.135 0.493 . . . . 0.0 110.699 178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -83.41 -16.24 46.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.968 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.1 p -113.17 3.28 15.97 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.53 ' O ' HG13 ' A' ' 26' ' ' ILE . 92.9 m -101.18 108.76 56.28 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.916 -0.129 . . . . 0.0 110.704 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.2 -47.58 19.21 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 123.567 2.844 . . . . 0.0 113.457 -178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 9.1 tp10 -54.88 -48.81 72.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.865 0.364 . . . . 0.0 110.619 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.492 ' CG ' ' HE2' ' A' ' 130' ' ' HIS . 17.4 t70 -72.66 -38.06 67.77 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.784 -175.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.53 HG13 ' O ' ' A' ' 22' ' ' THR . 84.3 mt -54.04 -41.71 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.397 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 10.0 mtmp? -64.67 -8.18 13.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.889 -176.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -97.53 -23.79 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.718 -178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.513 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 52.4 p-90 -119.47 -16.97 8.85 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -76.96 88.96 3.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.339 0.59 . . . . 0.0 110.934 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -160.9 116.08 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.915 177.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.14 -40.42 94.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.308 0.575 . . . . 0.0 110.402 178.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 79.7 p -134.82 171.09 14.88 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -78.69 4.57 13.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.893 0.378 . . . . 0.0 110.937 -176.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -79.61 -26.69 41.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.065 0.46 . . . . 0.0 109.958 176.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.522 ' HA ' ' HA ' ' A' ' 57' ' ' ALA . 62.8 m95 -109.49 163.76 13.14 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.424 -172.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.44 ' HE1' HG23 ' A' ' 39' ' ' THR . 3.3 p80 -157.44 153.72 27.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.154 175.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.597 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 28.3 m -89.27 112.89 24.06 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 ' HE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -82.49 -35.57 27.28 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.987 -173.487 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -145.48 139.13 26.61 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.985 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -140.18 122.3 15.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.756 0.312 . . . . 0.0 111.189 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 45.4 m -123.73 120.81 33.78 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 89.4 t -128.7 107.94 16.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.869 0.366 . . . . 0.0 111.625 -174.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -93.26 89.45 6.41 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.9 tp -73.39 91.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.097 0.475 . . . . 0.0 110.605 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HG3' ' HA3' ' A' ' 49' ' ' GLY . 8.8 ptm180 -172.37 153.93 3.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.042 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.12 120.68 11.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 172.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.01 1.3 67.44 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.766 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.449 ' HA3' ' HG3' ' A' ' 46' ' ' ARG . . . -99.35 160.71 19.83 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 176.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.63 161.43 27.26 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 117.366 0.583 . . . . 0.0 111.369 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -118.34 142.37 47.58 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.189 173.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 m -126.93 102.82 7.17 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.7 t -104.33 106.18 16.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.551 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 7.8 tpt180 -82.03 93.47 6.99 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.1 mtp -100.77 113.1 25.71 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.127 0.489 . . . . 0.0 109.964 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.488 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 54.1 mt-10 -128.14 161.52 29.07 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.91 -177.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.522 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -80.41 153.59 28.19 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 178.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -64.36 -16.94 63.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.001 0.429 . . . . 0.0 110.953 177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -86.4 -16.69 36.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.759 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.14 -19.98 19.16 Favored Glycine 0 C--N 1.331 0.257 0 C-N-CA 121.213 -0.517 . . . . 0.0 113.422 177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 50.2 m -64.47 -53.19 52.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -177.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.6 mtp -99.89 149.29 23.56 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.488 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 164.94 149.75 5.94 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.484 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -162.27 148.76 13.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.786 0.327 . . . . 0.0 110.221 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.2 p-10 -93.96 113.75 25.82 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.687 0.756 . . . . 0.0 110.589 176.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -89.77 117.61 28.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.202 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -116.03 143.26 45.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.105 -178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.38 157.01 27.03 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 177.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 m -111.83 131.79 55.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.181 0.491 . . . . 0.0 111.069 -175.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -77.59 114.32 16.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.487 178.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.3 p -92.65 -39.31 11.37 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.781 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.741 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 10.0 ttmm -132.61 130.7 40.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.277 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 48.0 t -139.17 107.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.977 0.417 . . . . 0.0 110.41 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.495 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.4 p -115.96 105.75 19.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.581 0.705 . . . . 0.0 109.311 173.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.593 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 36.3 tt0 -57.61 140.31 51.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.736 -1.12 . . . . 0.0 112.109 -172.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 67.46 12.05 8.69 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.05 178.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.495 ' HB2' HG13 ' A' ' 74' ' ' VAL . 68.0 mttm -128.35 -75.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.022 -0.271 . . . . 0.0 111.278 176.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.57 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 20.8 ptt180 -157.77 152.56 25.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.316 0.579 . . . . 0.0 112.41 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.0 mt -117.05 127.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.191 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.741 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 34.4 tt0 -118.81 119.77 35.36 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.493 ' CE1' ' HB3' ' A' ' 88' ' ' ALA . 38.9 p90 -134.2 155.03 50.86 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.004 0.431 . . . . 0.0 110.851 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -121.92 137.54 54.75 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.913 -178.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -129.67 107.18 9.23 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.465 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.31 -130.28 29.24 Favored Glycine 0 N--CA 1.446 -0.662 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -174.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -90.15 1.45 56.4 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.904 0.383 . . . . 0.0 110.997 177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -103.98 166.2 10.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.217 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.8 t -147.11 151.46 36.87 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -140.26 125.0 18.17 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -113.59 117.4 31.52 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.273 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG13 HG22 ' A' ' 103' ' ' VAL . 48.7 t -101.87 111.09 30.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.352 178.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.57 ' HA ' ' HB3' ' A' ' 78' ' ' ARG . 28.3 mt-10 -106.45 134.66 49.24 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.289 -175.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -106.63 102.66 12.03 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.492 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 82.9 mt -87.37 107.84 18.71 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.947 -177.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -72.52 105.6 4.25 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.03 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.502 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.02 162.72 18.76 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.257 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.502 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.6 Cg_endo -59.82 -26.01 81.01 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.472 2.114 . . . . 0.0 112.961 178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -91.89 -17.96 24.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.691 0.281 . . . . 0.0 111.532 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.27 -160.84 30.44 Favored Glycine 0 N--CA 1.449 -0.479 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.429 HG21 ' HA ' ' A' ' 13' ' ' VAL . 58.7 t -108.14 123.71 63.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 117.366 0.583 . . . . 0.0 110.92 -178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 24.2 m -93.69 116.21 28.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.224 178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.9 t -87.32 106.93 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.12 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.498 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 60.4 ttt-85 -105.65 111.74 24.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.166 -178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 90' ' ' VAL . 46.0 t -107.16 113.26 43.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.813 0.34 . . . . 0.0 110.951 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.2 m -108.0 107.11 17.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.516 174.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -125.23 149.27 48.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.052 0.453 . . . . 0.0 111.429 -175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -86.58 114.84 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.306 177.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -119.38 149.37 41.94 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.371 -178.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.417 ' HB2' ' HD2' ' A' ' 111' ' ' TYR . 1.9 mp0 -73.3 151.05 41.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.984 0.421 . . . . 0.0 110.771 177.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.576 HG23 ' HB2' ' A' ' 1' ' ' MET . 0.6 OUTLIER -86.74 -9.58 55.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.958 178.496 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -79.97 -37.86 33.46 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.673 -176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.417 ' HD2' ' HB2' ' A' ' 108' ' ' GLU . 95.5 m-85 -78.33 148.16 73.62 Favored Pre-proline 0 C--N 1.324 -0.536 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 175.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.09 102.3 0.08 OUTLIER 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.639 2.226 . . . . 0.0 112.478 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 66.6 t -55.64 -36.49 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.902 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -54.79 -52.12 63.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.879 177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -74.0 -30.59 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.193 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -63.44 -44.79 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -63.6 -50.77 68.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.349 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -58.97 -41.92 88.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.67 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.6 36.65 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.104 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -66.37 -37.08 84.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.711 0.291 . . . . 0.0 111.055 -179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -66.72 -34.25 77.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.99 -41.78 97.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.215 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.8 mt -61.91 -41.28 90.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.234 177.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.48 -43.46 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 178.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -68.16 -38.74 82.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.815 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 30.8 t-20 -62.39 -46.01 90.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.48 ' O ' HG23 ' A' ' 131' ' ' VAL . 66.8 t80 -60.83 -46.64 89.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.85 177.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.628 ' O ' ' HG2' ' A' ' 132' ' ' GLU . 61.1 tttp -54.08 -58.51 7.06 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.122 0.264 . . . . 0.0 110.79 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -57.96 -34.2 69.68 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.029 0.443 . . . . 0.0 110.878 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.492 ' HE2' ' CG ' ' A' ' 25' ' ' ASP . 45.0 t60 -63.28 -39.67 95.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.783 176.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.66 ' HA ' ' HB2' ' A' ' 134' ' ' HIS . 48.4 t -80.64 -35.08 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.846 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 128' ' ' LYS . 47.5 mm-40 -58.61 -33.54 70.13 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.252 0.549 . . . . 0.0 109.83 174.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 10.6 m -91.35 -7.78 49.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.696 179.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.66 ' HB2' ' HA ' ' A' ' 131' ' ' VAL . 0.3 OUTLIER -85.66 -13.67 47.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.967 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 63.5 mt -61.83 136.45 57.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.798 176.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -64.0 117.4 6.99 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.564 0.697 . . . . 0.0 112.246 -173.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.424 ' O ' ' HB3' ' A' ' 138' ' ' HIS . 51.6 p-80 -142.12 -173.1 3.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.222 178.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.474 ' O ' ' HB2' ' A' ' 139' ' ' HIS . 2.9 t-160 71.82 -83.75 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 -178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 138' ' ' HIS . 4.6 t60 171.45 80.2 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -130.47 104.97 7.55 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.054 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -116.76 99.5 7.16 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.048 0.452 . . . . 0.0 109.951 178.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 62.0 m80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.539 -0.743 . . . . 0.0 109.669 179.379 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -127.28 124.77 39.57 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 63.1 mt -102.46 143.68 14.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 177.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.8 m -125.47 112.01 15.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.219 0.533 . . . . 0.0 110.823 -174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 18.2 m -117.36 159.02 17.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.973 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.594 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.3 OUTLIER -155.38 160.13 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.213 0.53 . . . . 0.0 111.882 -178.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.417 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 12.5 t -156.66 123.25 5.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.068 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 32.8 m -90.12 104.67 17.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.1 0.476 . . . . 0.0 110.635 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG12 ' H ' ' A' ' 11' ' ' ALA . 14.8 t -84.35 138.44 19.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -83.9 11.9 6.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 111.591 -178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.463 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -105.61 152.73 40.11 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.114 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.28 149.84 83.4 Favored 'Trans proline' 0 C--O 1.239 0.545 0 C-N-CA 122.699 2.266 . . . . 0.0 112.042 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.7 p -60.09 -27.2 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.405 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -37.26 83.97 Favored Glycine 0 C--N 1.333 0.367 0 C-N-CA 121.12 -0.562 . . . . 0.0 112.626 177.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -85.11 -39.41 17.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.775 0.321 . . . . 0.0 110.693 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.2 t -60.45 -43.79 94.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.712 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 58.4 t-105 -60.36 -47.67 85.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.062 178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.2 ttp85 -73.29 -36.18 66.25 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.116 -173.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.69 -36.69 81.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.95 0.405 . . . . 0.0 110.834 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -81.01 -10.92 59.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.822 -178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.4 p -118.36 3.87 11.88 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 26' ' ' ILE . 85.2 m -104.22 103.39 38.32 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 177.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.9 Cg_endo -51.48 -41.3 60.79 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.672 2.915 . . . . 0.0 113.605 -174.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -64.88 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.569 0.224 . . . . 0.0 111.378 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -92.05 -39.69 11.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.529 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 83.7 mt -52.64 -43.71 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.935 177.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -56.21 -18.19 9.59 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.297 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -90.74 -28.12 18.5 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -175.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.529 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 53.0 p-90 -116.56 -12.31 10.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.489 0.551 . . . . 0.0 112.489 -177.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -78.39 90.38 4.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.254 0.55 . . . . 0.0 110.818 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -166.36 126.46 1.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.168 -0.923 . . . . 0.0 109.734 176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -93.62 -36.66 12.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.137 0.494 . . . . 0.0 110.441 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.429 ' HB2' ' HD1' ' A' ' 36' ' ' TRP . 30.8 m -118.56 143.68 46.6 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.52 177.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -72.19 -18.5 61.85 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -75.45 -8.99 58.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.761 0.315 . . . . 0.0 110.8 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' CE3' ' HG3' ' A' ' 55' ' ' MET . 71.5 m95 -111.07 165.29 12.01 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.935 0.398 . . . . 0.0 110.361 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.44 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.0 p80 -163.13 148.24 11.51 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.0 m -80.07 114.8 19.25 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.44 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.75 -41.89 17.13 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.128 0.49 . . . . 0.0 110.796 -177.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -138.41 119.5 14.49 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.677 179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -116.28 103.74 10.8 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.386 -179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.5 m -108.82 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.59 176.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD12 ' A' ' 26' ' ' ILE . 96.0 t -133.62 115.25 21.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.762 -175.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -110.02 103.19 11.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.041 0.448 . . . . 0.0 109.933 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.0 tp -76.86 102.78 6.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.54 -176.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -172.98 151.56 2.19 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.469 174.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 30.2 mt-10 -70.92 106.7 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.938 0.399 . . . . 0.0 110.04 177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.41 -8.34 26.52 Favored Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -172.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -83.84 176.07 52.02 Favored Glycine 0 N--CA 1.447 -0.62 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 177.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.23 164.89 28.08 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 117.246 0.523 . . . . 0.0 111.031 -176.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -127.78 152.23 48.03 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.502 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.7 m -140.69 104.09 4.65 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.634 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -106.94 110.57 22.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.767 -177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.443 ' HB3' ' H ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -81.8 94.37 7.03 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 -178.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.602 ' HG3' ' CE3' ' A' ' 36' ' ' TRP . 54.9 tpp -84.76 113.6 21.44 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 176.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HB2' ' NE ' ' A' ' 54' ' ' ARG . 33.4 tt0 -130.15 152.38 49.65 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.602 -174.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.18 143.66 50.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 174.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -61.65 -36.67 81.47 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -176.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -75.72 -20.52 58.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.06 0.457 . . . . 0.0 110.518 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.93 17.35 38.2 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.117 -177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -68.11 -60.91 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.262 0.553 . . . . 0.0 111.046 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.6 mtm -119.94 171.21 8.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.674 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.71 139.8 2.73 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.233 -0.984 . . . . 0.0 112.592 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.94 147.54 29.8 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.773 0.32 . . . . 0.0 110.331 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.14 110.26 19.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.845 176.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -85.95 107.1 17.58 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -117.42 147.45 42.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.429 -175.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -163.57 162.04 34.64 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 53.9 m -110.41 133.88 52.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 117.124 0.462 . . . . 0.0 110.96 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 92.9 m-85 -75.21 104.85 5.95 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.7 p -83.88 -37.02 22.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.363 -174.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.433 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -143.57 120.75 11.49 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 72.2 t -130.15 105.93 12.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.38 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.824 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -115.33 118.39 58.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 33.4 tt0 -64.77 135.09 55.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.32 -0.854 . . . . 0.0 111.865 -169.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 68.53 15.48 9.14 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.069 -0.969 . . . . 0.0 111.412 177.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.824 ' HB2' HG13 ' A' ' 74' ' ' VAL . 75.7 mmtt -125.77 -70.2 0.75 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.057 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.4 ptp180 -157.81 152.37 24.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.89 0.376 . . . . 0.0 111.073 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.9 mt -118.77 108.41 24.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.506 175.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.51 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 40.9 mt-10 -105.26 110.83 23.35 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.781 0.324 . . . . 0.0 110.405 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' CE2' ' HB3' ' A' ' 88' ' ' ALA . 28.2 p90 -121.33 137.75 54.56 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.161 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -124.87 140.65 52.73 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.844 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -123.67 96.1 4.83 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.19 175.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.08 -115.7 4.38 Favored Glycine 0 N--CA 1.443 -0.869 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.041 -176.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -97.58 -12.51 22.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.794 0.806 . . . . 0.0 109.765 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -105.09 125.82 51.39 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.681 -172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.418 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.7 t -124.04 149.6 45.9 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.009 0.433 . . . . 0.0 111.08 -176.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 81' ' ' TYR . . . -124.19 121.02 33.95 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 174.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.51 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 33.8 ttpt -112.85 116.45 30.06 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.19 0.519 . . . . 0.0 110.948 -174.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.3 t -97.23 110.14 24.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.03 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.483 ' HG3' ' HG2' ' A' ' 89' ' ' LYS . 29.7 mt-10 -106.73 133.58 51.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.974 0.416 . . . . 0.0 110.205 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -101.0 110.79 22.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.253 -177.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.551 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.6 mt -96.7 104.22 16.2 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.184 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -67.27 107.35 2.34 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.273 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -105.94 162.73 18.8 Favored Pre-proline 0 C--N 1.318 -0.799 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.073 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.22 -27.89 72.69 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.163 1.909 . . . . 0.0 112.742 178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -107.11 19.11 20.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.847 -176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.13 -153.6 23.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.62 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.35 112.17 37.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 120.673 0.273 . . . . 0.0 110.432 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.551 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 48.7 m -84.67 102.98 13.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.088 0.47 . . . . 0.0 110.12 178.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.594 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.7 t -82.68 106.51 13.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.884 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 102' ' ' ARG . 46.9 ttp85 -106.19 119.59 39.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.052 0.454 . . . . 0.0 110.313 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -104.02 119.27 52.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.754 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 m -107.87 108.17 19.22 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 46.2 p90 -127.51 147.79 50.32 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.019 0.438 . . . . 0.0 110.978 -177.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.65 137.55 21.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.877 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.423 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -134.22 147.29 50.68 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.269 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -89.64 146.61 24.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.363 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.1 p -81.43 -10.79 59.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.45 175.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -66.46 -34.96 79.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.746 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -96.94 152.96 38.69 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.912 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.532 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 50.7 Cg_exo -55.76 107.56 0.26 Allowed 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.731 2.287 . . . . 0.0 112.536 179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 74.2 t -54.63 -40.44 50.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.649 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -55.8 -50.2 71.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.625 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -69.3 -21.7 63.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.086 -176.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 47.7 mt-30 -76.6 -48.9 17.71 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.53 -53.01 63.05 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.786 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.127 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.85 -53.35 45.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.525 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -68.65 -36.72 78.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.712 0.291 . . . . 0.0 110.868 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 59.2 tp60 -63.31 -39.61 95.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.119 177.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.05 91.76 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.906 178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.1 mt -63.67 -39.08 84.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.116 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.417 ' HB3' ' CG2' ' A' ' 7' ' ' THR . 72.0 mt -68.53 -31.98 71.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.31 179.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -66.7 -45.09 79.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.96 0.41 . . . . 0.0 110.082 176.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.427 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 63.4 t30 -70.62 -34.08 71.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.877 178.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.481 ' O ' HG23 ' A' ' 131' ' ' VAL . 87.6 t80 -59.34 -51.76 68.55 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.162 174.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -54.03 -54.33 40.73 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.173 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 126' ' ' ASN . 5.9 ptp180 -62.51 -31.15 71.87 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.908 -176.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -80.26 -39.45 28.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.238 -176.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.552 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 96.5 t -67.55 -40.79 84.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.938 0.399 . . . . 0.0 110.427 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -73.85 -18.74 60.89 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.032 0.444 . . . . 0.0 110.518 176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -78.44 -13.38 59.86 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.323 -0.399 . . . . 0.0 109.999 172.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.552 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 2.4 m-70 -77.05 -19.5 57.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.042 0.449 . . . . 0.0 110.037 174.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 88.4 mt -77.12 135.72 38.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.804 -177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 93.63 8.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.262 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -131.49 62.66 1.62 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 111.543 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -174.6 151.3 1.48 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.605 174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 73.5 88.96 0.09 Allowed 'General case' 0 C--O 1.234 0.286 0 O-C-N 124.159 0.912 . . . . 0.0 110.509 178.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -143.89 101.35 3.73 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.636 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -124.06 9.59 8.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.334 0.588 . . . . 0.0 109.939 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.44 -179.485 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 tpt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -82.34 104.59 12.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.921 0.391 . . . . 0.0 110.38 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.4 mt -91.23 119.12 37.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.566 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.8 m -108.62 110.4 21.84 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.14 0.495 . . . . 0.0 110.749 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.8 m -114.07 156.07 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.713 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.43 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 0.0 OUTLIER -136.23 165.81 24.89 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-O 121.171 0.51 . . . . 0.0 110.533 -179.167 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.6 ' OG1' ' HB3' ' A' ' 124' ' ' LEU . 1.2 m -158.7 115.08 2.71 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.485 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.4 m -86.08 111.4 20.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.064 -178.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.477 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.2 t -101.81 141.51 18.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 174.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.44 -14.65 58.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.029 0.443 . . . . 0.0 111.419 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.477 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -76.04 145.5 77.35 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.553 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.31 160.2 46.4 Favored 'Trans proline' 0 C--O 1.239 0.543 0 C-N-CA 122.856 2.37 . . . . 0.0 112.223 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -61.14 -27.81 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.836 -173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -58.86 -33.77 74.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.563 178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -85.64 -44.57 12.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.77 0.319 . . . . 0.0 110.411 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.9 t -58.67 -43.85 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.238 -177.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.523 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 63.4 t-105 -59.49 -45.88 90.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.3 mtm180 -71.31 -41.86 69.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.367 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.86 -34.39 77.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.073 0.463 . . . . 0.0 111.143 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.423 ' HA ' ' CZ2' ' A' ' 29' ' ' TRP . 22.3 t80 -79.19 -16.97 55.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.206 -176.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -112.26 -7.49 14.01 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -174.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.568 ' O ' HG13 ' A' ' 26' ' ' ILE . 41.7 m -96.08 111.75 57.32 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 122.429 -0.169 . . . . 0.0 110.943 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 17.7 Cg_endo -56.56 -36.31 97.76 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.143 2.562 . . . . 0.0 112.885 -175.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.55 -28.96 70.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.882 0.372 . . . . 0.0 110.972 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' HA ' HE21 ' A' ' 28' ' ' GLN . 18.9 t70 -91.74 -34.72 14.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.072 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.568 HG13 ' O ' ' A' ' 22' ' ' THR . 71.2 mt -54.9 -39.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.55 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.468 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 59.3 mtmt -61.25 -10.49 6.94 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.443 HE21 ' HA ' ' A' ' 25' ' ' ASP . 49.4 mt-30 -98.64 -35.09 10.31 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.737 0.273 . . . . 0.0 111.737 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.519 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 53.5 p-90 -105.44 -10.77 16.74 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.402 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 3.3 t-20 -76.27 -3.01 34.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.325 0.584 . . . . 0.0 110.716 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.32 117.0 23.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.228 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.49 -31.19 68.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.056 0.455 . . . . 0.0 111.106 -179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.5 m -153.81 164.84 37.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.262 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -57.79 -33.81 68.95 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -76.93 -6.92 54.43 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 111.68 0.252 . . . . 0.0 111.68 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.4 m95 -116.95 148.72 41.14 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.438 ' HD2' ' O ' ' A' ' 56' ' ' GLU . 0.5 OUTLIER -148.04 154.16 39.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.846 0.355 . . . . 0.0 111.399 -179.362 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.468 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 11.5 m -90.3 108.67 19.91 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 173.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -29.06 31.67 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 -172.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' H ' ' HB3' ' A' ' 54' ' ' ARG . . . -154.91 144.43 21.34 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.046 178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.51 129.21 18.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.875 0.369 . . . . 0.0 110.959 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 48.8 m -135.17 118.84 17.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.489 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 HG22 ' HB2' ' A' ' 51' ' ' PHE . 92.1 t -123.45 132.65 71.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 -172.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -122.02 102.08 7.94 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 172.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.0 tp -84.29 97.69 9.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.861 -173.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 ptp180 -172.75 159.43 4.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.539 174.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.557 ' HG2' ' HD3' ' A' ' 72' ' ' LYS . 2.2 mp0 -68.2 104.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.0 -4.13 25.61 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.691 -175.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.65 148.6 19.05 Favored Glycine 0 N--CA 1.449 -0.48 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 177.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HA ' ' HA ' ' A' ' 69' ' ' THR . . . -113.33 161.8 16.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.089 0.471 . . . . 0.0 111.169 -177.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' HB2' HG22 ' A' ' 43' ' ' VAL . 44.7 p90 -131.36 142.42 50.07 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.461 174.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.3 m -120.45 125.8 48.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.1 t -125.21 118.03 25.15 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.194 0.521 . . . . 0.0 109.859 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 54' ' ' ARG . 7.3 tpt180 -86.22 93.49 9.07 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.775 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 50.0 ttm -97.65 113.51 25.26 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' O ' ' HD2' ' A' ' 37' ' ' HIS . 46.1 mt-10 -135.17 165.6 25.01 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.7 -177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.19 144.73 26.7 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.296 177.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HD2' ' HB3' ' A' ' 37' ' ' HIS . 53.2 mtpt -86.44 -29.19 23.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.402 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.07 -22.63 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.533 -173.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -140.05 -141.93 4.12 Favored Glycine 0 N--CA 1.437 -1.284 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.166 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -115.95 -11.67 11.46 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.552 -0.324 . . . . 0.0 111.298 -176.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 27.0 ttt -57.99 125.66 24.06 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 -177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.99 166.82 37.23 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -149.07 153.72 38.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.064 0.459 . . . . 0.0 110.963 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -90.07 100.57 13.37 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.624 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -92.54 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.525 -175.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -126.68 147.58 49.93 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.587 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . -155.17 150.51 22.02 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.82 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 50' ' ' ALA . 45.9 m -112.06 130.32 55.92 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.706 0.288 . . . . 0.0 110.893 -178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -71.14 121.3 18.07 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.0 p -85.63 -38.68 18.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.961 0.41 . . . . 0.0 110.614 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD3' ' HG2' ' A' ' 47' ' ' GLU . 6.2 mmtt -154.31 128.84 9.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.367 177.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.1 t -126.78 111.68 26.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.79 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.744 HG13 ' HB2' ' A' ' 77' ' ' LYS . 5.0 p -110.72 121.91 64.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 173.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.523 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 28.7 tt0 -66.38 132.47 48.39 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.097 -167.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.6 m120 67.26 18.5 10.29 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.835 176.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.744 ' HB2' HG13 ' A' ' 74' ' ' VAL . 25.5 mmtp -128.49 -73.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.625 0.25 . . . . 0.0 111.257 -178.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -153.24 149.22 27.72 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.092 0.473 . . . . 0.0 111.012 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 66.4 mt -116.54 115.4 48.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.562 176.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.506 ' HG2' ' HG3' ' A' ' 89' ' ' LYS . 44.0 mt-10 -111.48 117.7 33.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.892 179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -135.92 150.38 49.29 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.922 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.564 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -114.56 116.91 29.55 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.371 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' HA ' ' HA2' ' A' ' 68' ' ' GLY . 20.3 p90 -101.47 109.13 20.9 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.204 0.526 . . . . 0.0 109.965 178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.07 -115.24 7.54 Favored Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.455 -0.793 . . . . 0.0 112.253 -177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -98.64 0.84 45.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.738 0.304 . . . . 0.0 111.032 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HG2' HG13 ' A' ' 106' ' ' VAL . 7.8 mtm180 -118.12 179.28 4.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 -177.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 12.4 t -153.28 156.63 38.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.953 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.16 139.27 41.03 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.172 178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.506 ' HG3' ' HG2' ' A' ' 80' ' ' GLU . 19.6 ttmm -112.8 111.66 22.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.7 t -106.11 112.46 39.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.335 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.429 ' HB2' ' HB3' ' A' ' 102' ' ' ARG . 38.7 mt-10 -106.87 136.53 46.54 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.393 -179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -102.77 102.91 13.08 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -105.34 103.84 13.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.225 -176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.558 ' HG2' HG22 ' A' ' 99' ' ' VAL . 46.3 mt-10 -66.55 119.52 11.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.404 0.621 . . . . 0.0 111.078 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.41 164.99 13.77 Favored Pre-proline 0 C--N 1.314 -0.957 0 CA-C-N 114.814 -1.084 . . . . 0.0 109.645 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.516 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.0 Cg_endo -60.39 -17.83 49.7 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.264 1.976 . . . . 0.0 112.408 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -107.09 3.94 26.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.689 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.32 -132.63 4.55 Favored Glycine 0 C--O 1.226 -0.36 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.538 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.558 HG22 ' HG2' ' A' ' 94' ' ' GLU . 97.9 t -132.28 127.77 57.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.918 0.39 . . . . 0.0 110.288 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 56.7 m -93.21 113.67 25.95 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.344 177.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.1 t -84.36 107.71 15.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 176.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.429 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 37.6 ttt180 -99.99 109.25 21.59 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.993 -176.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -109.66 107.46 22.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 120.907 0.384 . . . . 0.0 110.744 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 t -111.23 106.24 15.17 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 45.4 p90 -120.42 151.43 39.31 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.169 -175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.519 HG13 ' HG2' ' A' ' 86' ' ' ARG . 4.9 p -84.55 113.66 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.715 0.769 . . . . 0.0 110.235 176.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -107.49 147.81 30.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.868 -178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -75.97 143.01 41.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.958 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.5 1.54 41.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.255 0.55 . . . . 0.0 110.548 173.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -75.41 -23.66 57.05 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.688 173.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -110.34 149.42 40.15 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.496 -0.774 . . . . 0.0 108.985 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.6 130.12 33.97 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.459 2.106 . . . . 0.0 111.959 178.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.8 t -58.45 -40.21 77.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.2 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 114' ' ' GLU . 1.7 mp0 -55.39 -53.59 54.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.598 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -62.56 -45.3 93.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.682 -176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.85 -39.33 93.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.047 0.451 . . . . 0.0 110.698 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.61 -51.39 62.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.609 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -65.49 -33.99 77.23 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.358 -178.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.82 -53.3 47.42 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.995 -0.621 . . . . 0.0 111.999 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -70.25 -33.85 72.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.853 0.359 . . . . 0.0 110.764 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -62.57 -40.86 98.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.446 178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.33 95.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 85.4 mt -61.56 -42.42 93.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 176.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.6 ' HB3' ' OG1' ' A' ' 7' ' ' THR . 36.9 mt -64.64 -35.42 80.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.415 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -67.5 -39.31 85.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.671 -0.24 . . . . 0.0 110.754 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 43.6 t30 -69.19 -42.62 75.57 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 175.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.523 ' O ' HG23 ' A' ' 131' ' ' VAL . 92.5 t80 -55.39 -51.71 65.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.582 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.498 ' CE ' HG23 ' A' ' 7' ' ' THR . 39.4 ttmt -50.29 -53.11 30.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.003 179.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 -67.37 -35.94 80.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.1 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -71.54 -33.08 68.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.475 -177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.9 t -78.75 -33.1 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -27.06 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.294 0.569 . . . . 0.0 110.112 171.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.5 m -84.4 5.36 27.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.706 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -110.37 13.46 22.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.136 0.493 . . . . 0.0 110.082 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.42 HD21 ' CB ' ' A' ' 11' ' ' ALA . 87.7 mt -88.64 145.87 25.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.232 177.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -100.54 149.61 23.54 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.371 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -74.67 155.73 37.45 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 166.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.16 -83.25 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -169.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.526 ' O ' ' HB2' ' A' ' 140' ' ' HIS . 60.6 t60 51.59 -92.91 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -167.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . 0.526 ' HB2' ' O ' ' A' ' 139' ' ' HIS . 2.5 t-160 169.36 93.72 0.0 OUTLIER 'General case' 0 CA--C 1.518 -0.262 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 172.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.95 90.85 2.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.785 0.802 . . . . 0.0 110.509 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 62.7 t-80 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.403 -177.759 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.592 0.234 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -115.15 137.22 52.26 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.199 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.418 ' HB ' ' CZ ' ' A' ' 105' ' ' PHE . 59.1 mt -106.11 110.97 33.21 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 173.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 35.0 m -98.66 110.55 23.13 Favored 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.253 0.549 . . . . 0.0 110.536 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.487 HG21 ' HB3' ' A' ' 120' ' ' TRP . 15.6 m -116.17 145.23 22.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.376 176.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 9.6 pt-20 -151.3 153.55 35.03 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.208 0.527 . . . . 0.0 111.48 -174.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 t -144.84 141.17 28.91 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.257 176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 18.0 m -101.52 111.99 24.4 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.693 0.283 . . . . 0.0 110.736 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' ' 11' ' ' ALA . 12.1 t -98.39 130.12 47.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.066 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -3.84 20.97 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' A' ' 15' ' ' LYS . . . -84.09 152.33 61.73 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.907 -179.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.51 162.2 35.0 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.426 2.084 . . . . 0.0 111.785 175.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.5 p -63.18 -24.22 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.352 -175.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.35 -43.31 98.75 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.157 -0.544 . . . . 0.0 112.569 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.2 mttm -72.55 -44.45 62.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.008 0.432 . . . . 0.0 110.162 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.01 -48.15 89.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.342 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -57.49 -44.52 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.98 0.419 . . . . 0.0 111.087 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -73.74 -44.06 57.36 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.372 -173.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.49 -19.19 61.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.741 0.305 . . . . 0.0 111.674 -177.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -86.37 -21.99 26.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.838 0.351 . . . . 0.0 110.706 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.1 p -104.01 -25.22 13.08 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 ' O ' HG13 ' A' ' 26' ' ' ILE . 56.5 m -72.31 114.76 32.45 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.46 0.172 . . . . 0.0 110.838 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.536 ' HG3' ' HB ' ' A' ' 43' ' ' VAL . 54.2 Cg_exo -54.08 -35.67 82.42 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.176 2.584 . . . . 0.0 113.175 -177.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -66.27 -37.13 84.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -72.5 -40.0 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 22' ' ' THR . 74.8 mt -53.2 -44.51 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.171 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.542 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.7 mtmt -65.77 -8.15 19.73 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.754 0.311 . . . . 0.0 111.829 -178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -94.66 -40.0 10.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.426 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.498 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 46.3 p-90 -106.88 -17.87 14.08 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -81.08 93.71 6.46 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.126 0.489 . . . . 0.0 110.912 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.87 122.73 0.84 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.762 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.33 -25.26 60.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.23 0.538 . . . . 0.0 111.062 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.0 m -153.61 163.1 40.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 177.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.632 ' O ' ' HE2' ' A' ' 58' ' ' LYS . 16.2 t70 -64.64 -30.57 71.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.045 0.45 . . . . 0.0 110.437 -177.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.28 -22.67 61.53 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.128 178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 m95 -107.27 156.19 19.13 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.251 -177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -154.69 156.36 36.28 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.515 -0.312 . . . . 0.0 110.243 178.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.542 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 32.7 m -86.8 113.13 22.36 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.74 -41.44 19.24 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.215 0.531 . . . . 0.0 110.873 -173.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.32 120.34 6.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.944 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.65 112.91 21.14 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.238 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.2 m -112.05 113.31 25.52 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.768 177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HG3' ' A' ' 23' ' ' PRO . 75.4 t -125.32 116.12 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.941 0.401 . . . . 0.0 111.152 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -102.48 91.37 4.21 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.571 -0.899 . . . . 0.0 108.571 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.7 tp -76.28 104.23 6.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.631 -169.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 46' ' ' ARG . 19.7 ptt-85 -169.28 160.84 9.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.235 -0.893 . . . . 0.0 108.606 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.31 113.02 11.05 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 176.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.59 -2.76 39.38 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -172.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -89.67 173.1 39.81 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.031 -0.604 . . . . 0.0 111.666 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.48 160.6 35.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.844 0.354 . . . . 0.0 111.008 -176.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -137.3 154.06 50.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.001 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.3 t -139.95 117.03 11.13 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.2 t -118.31 120.83 38.8 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.65 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.473 HH21 ' CD ' ' A' ' 56' ' ' GLU . 18.1 mmm180 -83.55 98.09 9.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.43 176.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 45.9 ttm -96.57 111.93 23.87 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HG2' ' HA3' ' A' ' 63' ' ' GLY . 38.5 mt-10 -135.8 164.29 28.25 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.963 0.411 . . . . 0.0 110.607 -175.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.86 156.57 24.78 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.875 177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.632 ' HE2' ' O ' ' A' ' 34' ' ' ASP . 65.2 mttm -53.73 -47.99 70.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.838 0.351 . . . . 0.0 111.509 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.31 -12.59 59.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.103 -176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.91 0.19 89.65 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.648 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.3 m -56.17 -45.06 79.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.206 0.527 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 72.0 mtp -122.42 156.58 33.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.588 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.518 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . 163.92 139.53 2.66 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.974 178.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -141.81 162.39 35.59 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.665 0.269 . . . . 0.0 110.332 -178.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -104.7 113.26 26.73 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.607 0.718 . . . . 0.0 110.218 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -90.19 107.13 18.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.462 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.97 136.8 55.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.822 -177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.98 172.34 31.99 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.842 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -116.52 131.1 57.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.531 0.205 . . . . 0.0 110.642 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -77.12 105.78 8.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 178.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.2 p -90.94 -13.07 34.17 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.818 0.342 . . . . 0.0 111.331 -177.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.918 ' HB3' ' HB2' ' A' ' 80' ' ' GLU . 0.0 OUTLIER -147.21 117.63 7.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.325 176.846 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.6 t -131.01 106.99 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.429 177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.544 HG13 ' HB3' ' A' ' 77' ' ' LYS . 2.5 p -128.92 118.66 47.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.484 0.659 . . . . 0.0 110.166 177.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -61.45 136.7 58.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.974 -172.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.04 6.46 5.66 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.442 175.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.544 ' HB3' HG13 ' A' ' 74' ' ' VAL . 57.2 tttp -120.69 -76.58 0.58 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.348 -0.541 . . . . 0.0 111.545 -177.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 HH21 ' HD3' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -158.82 165.09 35.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.927 0.394 . . . . 0.0 111.878 -173.491 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 61.7 mt -132.99 128.16 56.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.162 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.918 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . 45.9 mt-10 -117.32 130.55 56.6 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 173.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -140.67 143.19 34.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.135 0.493 . . . . 0.0 110.466 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.66 144.95 44.74 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.578 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.4 p90 -135.96 99.56 4.19 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.52 0.676 . . . . 0.0 109.679 177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.44 -113.52 5.38 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.145 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -89.1 -28.58 19.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.07 0.462 . . . . 0.0 110.785 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 86' ' ' ARG . 8.3 mpt_? -98.19 151.63 20.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.622 -172.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.6 t -137.22 147.9 46.14 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 177.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -119.78 132.06 55.51 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' HE2' ' OE2' ' A' ' 80' ' ' GLU . 38.7 ttmt -112.8 111.03 21.52 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.057 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.502 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -110.21 111.69 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.095 -178.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -116.91 134.77 54.35 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.89 0.376 . . . . 0.0 110.712 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -98.33 104.1 16.1 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 43.4 mt -104.17 106.6 17.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.356 -175.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.437 ' HA ' ' HA ' ' A' ' 99' ' ' VAL . 42.3 tt0 -74.8 108.77 7.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.22 0.534 . . . . 0.0 110.827 -176.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.533 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.91 166.94 10.21 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.75 177.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.533 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 34.9 Cg_endo -66.37 -8.75 21.56 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 122.29 1.993 . . . . 0.0 111.78 174.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -93.9 -4.44 49.93 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.968 177.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.94 16.34 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -174.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 94' ' ' GLU . 61.9 t -79.26 115.97 22.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.181 0.515 . . . . 0.0 109.98 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 19.0 m -90.48 108.37 19.75 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.359 -178.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.8 t -82.6 105.14 12.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -105.07 116.48 32.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.322 -177.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG22 HG13 ' A' ' 90' ' ' VAL . 48.3 t -112.91 110.13 31.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.436 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.1 t -112.38 112.83 24.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 175.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.418 ' CZ ' ' HB ' ' A' ' 3' ' ' ILE . 44.5 p90 -122.0 150.43 42.08 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.071 0.463 . . . . 0.0 111.374 -176.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.4 t -73.7 122.41 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.841 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -134.4 147.24 50.44 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.11 -175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' CD ' ' HE ' ' A' ' 86' ' ' ARG . 4.9 mp0 -78.84 146.32 33.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.501 177.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.8 t -91.17 -13.44 32.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.815 -177.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.41 ' OE1' ' HB3' ' A' ' 108' ' ' GLU . 1.6 pm0 -71.39 -29.57 65.1 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -82.79 141.34 44.25 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 173.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.592 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 34.3 Cg_exo -57.7 106.05 0.23 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.663 2.242 . . . . 0.0 112.867 -177.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.5 t -58.21 -34.85 50.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.588 177.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.84 -47.23 67.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.575 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -67.32 -41.19 85.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.148 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 44.3 mt-30 -68.72 -50.52 50.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.732 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -60.1 -52.31 65.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.16 -176.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 69.3 mm-40 -64.18 -32.92 74.68 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 121.203 -0.199 . . . . 0.0 111.288 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.452 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.04 -52.79 38.25 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.014 178.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.487 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.5 m95 -68.29 -36.01 78.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.523 0.201 . . . . 0.0 111.308 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -62.42 -41.18 98.5 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.64 -44.41 96.35 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.551 177.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 119' ' ' GLY . 84.1 mt -60.13 -45.07 96.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.31 -42.32 88.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.328 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.566 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 80.5 m-20 -66.61 -40.31 88.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.707 178.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.498 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 66.7 t30 -64.38 -39.15 93.3 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.434 ' O ' HG23 ' A' ' 131' ' ' VAL . 64.0 t80 -59.59 -50.1 75.21 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.394 173.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -54.8 -49.07 71.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.293 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.566 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 64.2 mtp180 -67.38 -34.56 77.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -58.67 -36.4 74.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.796 0.331 . . . . 0.0 110.366 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.534 HG12 HD23 ' A' ' 135' ' ' LEU . 47.0 t -81.93 -57.95 4.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.099 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -68.18 -17.65 64.39 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 113.303 0.853 . . . . 0.0 113.303 -172.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.7 p -56.94 -34.86 68.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.706 0.289 . . . . 0.0 111.767 -177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -141.76 -33.57 0.49 Allowed 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.855 -0.338 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 131' ' ' VAL . 81.8 mt 68.86 -37.71 0.37 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.765 0.826 . . . . 0.0 113.153 177.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -106.61 178.54 4.53 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.751 -0.204 . . . . 0.0 110.61 179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 55.93 84.74 0.08 Allowed 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.826 0.704 . . . . 0.0 111.762 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -150.63 -44.7 0.12 Allowed 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.017 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.432 ' HA ' ' OXT' ' A' ' 142' ' ' HIS . 47.3 p-80 -66.56 121.47 15.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.669 177.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -103.61 -39.72 6.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 170.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.5 p-80 -167.03 -24.0 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.955 169.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.432 ' OXT' ' HA ' ' A' ' 139' ' ' HIS . 2.3 p-80 . . . . . 0 C--O 1.242 0.695 0 N-CA-C 107.224 -1.398 . . . . 0.0 107.224 160.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.922 0.392 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.46 114.33 28.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.476 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.453 ' O ' ' HA ' ' A' ' 104' ' ' SER . 67.1 mt -94.18 136.36 25.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 178.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.1 m -118.11 111.48 18.94 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.0 111.118 -178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.0 m -115.61 137.59 48.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 175.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 9.5 pt-20 -150.08 154.87 38.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.935 0.398 . . . . 0.0 111.488 -175.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 t -150.19 145.98 26.58 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.633 177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 26.8 m -94.8 117.98 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 0.0 110.906 -176.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.8 t -99.85 143.22 14.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.17 7.82 5.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.819 0.343 . . . . 0.0 111.762 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.594 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -91.82 148.64 37.51 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.732 -178.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.57 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 12.7 Cg_exo -69.4 154.03 69.73 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.828 2.352 . . . . 0.0 111.48 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -59.56 -29.59 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.204 -176.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.84 -34.54 88.95 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.088 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.57 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.8 mttm -84.52 -41.25 16.71 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.675 0.274 . . . . 0.0 110.605 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.3 t -61.11 -46.27 96.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.73 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.487 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 45.9 t-105 -55.66 -49.32 73.22 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.87 178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 42.6 ttm-85 -67.38 -43.44 81.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.326 -173.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.7 -27.6 68.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.005 0.431 . . . . 0.0 111.062 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -83.96 -14.45 50.83 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.015 -177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.545 ' HB ' HD22 ' A' ' 45' ' ' LEU . 22.8 p -120.65 0.37 10.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . 49.8 m -102.38 107.7 54.48 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 122.225 -0.297 . . . . 0.0 110.583 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -57.12 -28.5 79.25 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.762 2.308 . . . . 0.0 113.012 -175.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.85 -37.8 85.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 0.0 110.366 177.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -91.07 -34.38 15.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.09 -177.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.543 ' HA ' ' NE1' ' A' ' 29' ' ' TRP . 71.0 mt -53.71 -42.41 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.795 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -63.49 -8.88 10.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -97.4 -13.74 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.717 -0.219 . . . . 0.0 111.356 -177.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.543 ' NE1' ' HA ' ' A' ' 26' ' ' ILE . 59.9 p-90 -131.42 -11.62 3.56 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.4 89.07 2.1 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.075 0.464 . . . . 0.0 110.643 -177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -173.54 135.67 0.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.665 178.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -105.47 0.13 26.48 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.213 0.53 . . . . 0.0 110.396 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.7 m -145.02 147.12 32.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.215 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.9 -30.61 71.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.548 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -75.23 -23.47 57.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.045 0.45 . . . . 0.0 111.733 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 72.7 m95 -100.05 144.25 29.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.158 0.504 . . . . 0.0 111.144 -175.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -147.28 154.08 40.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.845 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.4 m -89.32 121.03 31.19 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.686 0.279 . . . . 0.0 110.468 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.0 p -84.0 -42.28 16.38 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.94 0.4 . . . . 0.0 111.253 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -146.54 145.5 30.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.833 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -149.15 100.8 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -95.3 113.57 25.26 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 176.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.551 HG22 ' HB2' ' A' ' 51' ' ' PHE . 87.8 t -114.67 125.56 72.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.18 -176.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -112.24 100.9 9.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 174.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.545 HD22 ' HB ' ' A' ' 21' ' ' THR . 63.7 tp -87.03 94.15 9.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.936 -172.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 35.1 ptt85 -167.95 165.98 13.49 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 171.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' OE2' ' HG3' ' A' ' 72' ' ' LYS . 44.1 mt-10 -67.45 106.15 2.03 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.91 4.64 39.02 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.236 -173.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.81 158.07 23.18 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 176.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -128.77 151.61 49.37 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 120.955 0.407 . . . . 0.0 111.039 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.551 ' HB2' HG22 ' A' ' 43' ' ' VAL . 54.0 p90 -117.04 142.03 47.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 174.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.543 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 44.8 m -130.97 106.02 8.13 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.42 179.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.8 p -116.56 118.73 33.43 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.261 -178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.518 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 53.5 mtp180 -89.5 106.77 18.67 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.293 0.568 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 82.7 mtp -92.48 113.74 26.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.103 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 49.3 mt-10 -125.0 147.63 48.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.528 -177.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.46 141.35 44.98 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptmm? -69.33 -14.56 63.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.004 0.43 . . . . 0.0 110.185 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -67.94 -22.94 65.02 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.996 173.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.89 -35.14 5.14 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.039 -0.6 . . . . 0.0 113.934 172.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.7 m -68.88 -65.71 0.67 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 117.135 0.467 . . . . 0.0 112.021 -173.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 79.7 mmm -79.83 134.46 36.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.0 111.873 -177.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.545 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -167.53 142.58 7.63 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.38 176.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -140.08 170.91 14.98 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 117.041 0.421 . . . . 0.0 110.768 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.518 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 12.5 p-10 -117.6 118.19 31.44 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.359 0.599 . . . . 0.0 110.166 178.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -93.34 124.04 37.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.52 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.99 124.13 41.91 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.37 138.71 10.37 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.8 m -109.05 125.91 52.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.881 0.341 . . . . 0.0 110.556 -179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -71.05 116.75 11.72 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.095 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -83.83 -33.94 24.79 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.142 0.496 . . . . 0.0 110.147 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.5 ' HG3' ' OE2' ' A' ' 47' ' ' GLU . 21.7 ttmm -155.46 145.99 22.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.571 175.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 86.0 t -135.22 115.81 18.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.317 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.439 HG13 ' H ' ' A' ' 78' ' ' ARG . 2.8 p -117.81 109.39 27.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.663 0.744 . . . . 0.0 109.652 175.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 43.1 tt0 -58.95 131.61 51.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.357 -170.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 68.77 10.84 8.12 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.875 -1.057 . . . . 0.0 112.394 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.23 -68.09 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.917 176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 90' ' ' VAL . 23.0 ptt180 -158.96 170.62 21.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.876 0.37 . . . . 0.0 111.252 -179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.1 mt -131.81 129.88 61.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.482 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.417 ' CD ' ' HE ' ' A' ' 78' ' ' ARG . 1.5 mt-10 -114.55 122.55 46.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.203 176.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -144.53 158.82 43.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.104 0.478 . . . . 0.0 111.125 177.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.567 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -129.25 147.23 51.07 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -133.31 110.59 10.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.9 178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.85 -104.13 1.57 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.616 -0.802 . . . . 0.0 111.695 -176.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -122.0 -2.86 9.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.455 0.645 . . . . 0.0 110.107 177.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -103.61 137.19 42.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.647 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 8.3 t -117.35 152.19 35.45 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 120.777 0.322 . . . . 0.0 110.222 178.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.23 134.07 47.82 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 120.994 0.426 . . . . 0.0 110.344 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HB3' ' HE2' ' A' ' 89' ' ' LYS . 34.7 ttpt -112.79 111.97 23.13 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.872 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 50.3 t -102.65 115.21 44.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.099 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 102' ' ' ARG . 32.0 mt-10 -105.93 134.09 49.61 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -101.06 102.94 14.02 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 175.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.576 HD11 ' HD2' ' A' ' 102' ' ' ARG . 68.0 mt -94.93 100.56 12.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.729 -174.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -72.88 106.24 4.73 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.541 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.56 165.38 13.04 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.97 -179.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.541 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 14.3 Cg_endo -57.58 -31.42 91.67 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.694 2.263 . . . . 0.0 112.63 177.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -81.69 -43.79 18.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.024 0.44 . . . . 0.0 110.937 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.22 -174.95 46.83 Favored Glycine 0 N--CA 1.445 -0.756 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -178.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 64.8 t -90.36 114.82 28.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.431 0.634 . . . . 0.0 110.481 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.577 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 65.6 m -86.19 113.49 22.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.234 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.6 t -82.36 114.2 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.576 ' HD2' HD11 ' A' ' 93' ' ' LEU . 30.1 ttt180 -111.63 123.77 50.92 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.761 -173.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.2 t -116.65 107.2 21.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.096 0.474 . . . . 0.0 110.785 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 47.4 m -103.91 104.89 14.93 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 173.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -118.96 150.0 40.65 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.179 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.4 t -74.62 110.35 8.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.262 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -87.92 138.02 31.82 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.833 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -92.92 129.48 38.82 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.998 0.428 . . . . 0.0 110.376 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -70.9 -15.27 62.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.723 -0.672 . . . . 0.0 112.369 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.28 6.95 40.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 111.172 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -134.27 155.61 79.73 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 115' ' ' GLN . 71.7 Cg_exo -50.12 104.33 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.736 2.29 . . . . 0.0 112.361 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.39 -42.71 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.847 -176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 52.6 mm-40 -62.02 -44.96 95.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.805 179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 112' ' ' PRO . 21.2 tp60 -69.32 -33.48 73.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.946 -176.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.417 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 47.8 mt-30 -61.6 -46.87 87.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 173.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.407 ' HB2' HD13 ' A' ' 3' ' ' ILE . 34.8 tt0 -59.57 -51.68 68.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.825 177.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 96.9 mt-30 -61.1 -37.5 82.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.276 -179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -60.05 -54.33 38.31 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.301 -0.476 . . . . 0.0 112.728 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.417 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 83.8 m95 -66.27 -34.6 78.38 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.618 0.247 . . . . 0.0 110.841 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.12 -37.64 86.23 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.317 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.85 96.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.486 178.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 77.9 mt -58.21 -43.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.213 176.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.2 mt -62.21 -36.49 82.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.581 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -69.69 -42.44 74.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.531 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 66.4 t30 -66.97 -41.34 87.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.466 ' O ' HG23 ' A' ' 131' ' ' VAL . 90.7 t80 -56.9 -53.09 61.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.728 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.37 -50.28 73.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.364 -178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -60.92 -40.02 91.58 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-O 120.935 0.398 . . . . 0.0 110.789 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -65.89 -49.75 66.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.193 178.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.613 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 85.5 t -61.95 -47.58 92.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.482 -175.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -67.08 -35.66 80.31 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.764 -0.374 . . . . 0.0 111.729 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.0 m -71.91 -19.41 61.93 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.435 0.636 . . . . 0.0 110.267 175.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -81.11 -22.2 39.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.454 176.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 131' ' ' VAL . 24.4 mt -87.08 -69.11 0.7 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.229 175.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -101.94 106.51 17.46 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.265 176.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 -66.1 116.08 6.81 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -82.03 55.01 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.773 -0.648 . . . . 0.0 112.039 -170.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 20.5 t-160 -97.95 -20.59 17.35 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -75.72 63.23 1.59 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 174.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 4.0 t60 178.98 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 . . . . . 0 C--O 1.247 0.942 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.583 -177.314 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptm . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -119.5 126.3 50.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.749 0.309 . . . . 0.0 110.943 -178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 68.9 mt -110.17 125.19 67.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 175.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.3 m -114.18 111.75 22.06 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.719 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.4 m -119.04 135.12 60.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.265 177.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 102' ' ' ARG . 12.1 pt-20 -136.92 161.53 35.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.929 0.395 . . . . 0.0 110.854 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.6 t -146.32 145.64 30.4 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.812 177.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.2 m -102.38 119.84 39.49 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.879 0.371 . . . . 0.0 110.46 -178.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 11' ' ' ALA . 34.7 t -107.1 139.87 27.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.15 11.76 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -103.24 147.96 34.95 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.851 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -65.22 155.38 68.78 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.939 2.426 . . . . 0.0 112.165 176.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.0 p -60.58 -30.71 47.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.95 -173.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.29 -39.36 95.96 Favored Glycine 0 C--N 1.331 0.297 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.155 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -80.79 -38.1 29.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.734 0.302 . . . . 0.0 110.345 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.77 -45.32 94.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.535 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 75' ' ' GLU . 65.4 t-105 -55.14 -46.67 75.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.536 178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.55 -47.1 76.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.67 -177.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.33 -25.96 67.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.698 0.285 . . . . 0.0 111.347 -177.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -86.95 -16.29 36.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.375 -176.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.2 p -115.41 -16.82 11.38 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.805 0.669 . . . . 0.0 112.805 -174.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 26' ' ' ILE . 44.1 m -79.1 111.28 18.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.494 -0.187 . . . . 0.0 110.494 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.613 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 88.6 Cg_exo -49.61 -42.79 41.79 Favored 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.352 2.701 . . . . 0.0 113.158 -175.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.548 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 46.8 mt-10 -59.32 -46.35 88.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.141 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.05 -37.01 72.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.261 179.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 22' ' ' THR . 65.3 mt -53.95 -44.02 60.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.354 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' HE3' ' HA ' ' A' ' 24' ' ' GLU . 10.2 mtmp? -58.13 -18.39 24.99 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -87.88 -28.33 21.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.647 0.261 . . . . 0.0 111.284 -175.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.646 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 53.0 p-90 -117.51 -7.91 11.05 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -175.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -81.44 6.24 15.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.961 0.41 . . . . 0.0 111.427 -174.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -96.73 124.6 40.76 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 177.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.31 -52.4 7.75 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.454 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -124.27 171.29 9.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.035 -175.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -78.12 0.58 24.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.422 0.629 . . . . 0.0 110.624 -178.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -91.44 -23.02 20.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.293 0.568 . . . . 0.0 110.009 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.516 ' CH2' ' HG3' ' A' ' 62' ' ' MET . 62.9 m95 -110.8 164.26 12.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.562 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -159.03 145.05 16.59 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.568 173.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 m -81.62 109.79 16.37 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 176.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.76 -40.02 21.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.474 -175.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.93 142.31 23.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.824 178.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.613 ' O ' ' HB3' ' A' ' 23' ' ' PRO . . . -143.82 99.82 3.47 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.872 0.368 . . . . 0.0 110.701 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 m -99.89 114.27 27.38 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.822 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.528 HG22 ' HB2' ' A' ' 51' ' ' PHE . 84.4 t -121.7 124.18 71.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 -175.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -107.72 96.44 6.39 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.8 tp -76.5 99.11 4.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.401 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -167.84 142.34 3.6 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.348 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -65.48 112.55 3.62 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.09 1.42 38.8 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.988 -0.625 . . . . 0.0 111.882 -174.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -97.76 -155.26 29.82 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -158.71 165.18 34.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 117.157 0.479 . . . . 0.0 111.263 -178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.528 ' HB2' HG22 ' A' ' 43' ' ' VAL . 29.8 p90 -135.43 160.05 39.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.93 176.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.9 p -144.85 112.74 6.34 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.535 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.1 t -111.34 114.5 27.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.062 0.458 . . . . 0.0 110.307 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -84.7 97.33 9.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.14 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 64.4 mtt -93.26 114.82 27.38 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.482 177.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -122.35 147.73 45.91 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.746 0.307 . . . . 0.0 110.326 178.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HA ' ' HA ' ' A' ' 36' ' ' TRP . . . -68.44 150.85 47.63 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 170.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -59.94 -33.63 72.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.58 0.229 . . . . 0.0 111.555 -176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -85.5 -11.38 54.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.982 0.42 . . . . 0.0 110.922 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.8 21.23 79.53 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.946 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.6 m -78.22 -18.81 54.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.381 0.61 . . . . 0.0 110.336 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.516 ' HG3' ' CH2' ' A' ' 36' ' ' TRP . 11.6 tpt -154.78 131.69 10.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.519 179.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -160.51 142.84 8.46 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.592 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -146.04 149.87 34.91 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -100.44 111.64 23.92 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.537 0.684 . . . . 0.0 109.808 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -78.29 106.07 9.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.2 -179.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.6 127.56 55.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.274 -177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.66 138.48 9.48 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.056 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 89.3 m -92.34 124.88 36.72 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -71.26 103.86 2.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.428 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.8 p -84.46 -30.05 25.58 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.673 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.791 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 26.3 mmtp -143.65 129.4 19.32 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.011 174.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.2 t -130.96 100.97 5.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.905 177.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.584 HG11 ' HD3' ' A' ' 77' ' ' LYS . 39.3 t -113.49 109.71 29.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.54 178.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HA ' ' CH2' ' A' ' 17' ' ' TRP . 31.1 tt0 -58.94 128.34 36.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.226 -174.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 66.26 15.12 9.98 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.366 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.584 ' HD3' HG11 ' A' ' 74' ' ' VAL . 57.9 tttp -129.79 -64.73 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.52 -0.472 . . . . 0.0 111.905 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 9.8 ptm85 -155.43 144.01 20.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.274 0.559 . . . . 0.0 111.897 -171.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.5 mt -122.32 119.59 58.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.111 -0.949 . . . . 0.0 109.327 175.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 40.9 mt-10 -125.59 129.23 49.26 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.966 0.413 . . . . 0.0 110.216 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -144.3 154.9 43.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.651 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -114.26 140.55 48.5 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.605 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -137.09 111.06 8.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.223 0.535 . . . . 0.0 109.761 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 67.96 -112.9 5.04 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.761 -176.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -104.82 -11.2 16.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.019 0.438 . . . . 0.0 110.43 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.611 ' HD2' ' O ' ' A' ' 106' ' ' VAL . 41.5 mtm180 -108.22 158.03 17.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.047 -174.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.2 t -133.65 156.67 47.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.284 -0.416 . . . . 0.0 109.886 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -124.66 138.96 54.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.7 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -117.73 110.43 17.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -103.92 115.55 46.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.066 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -114.24 134.48 54.9 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.879 0.371 . . . . 0.0 110.372 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -94.56 106.09 18.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.944 178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 64.9 mt -103.55 134.87 46.17 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.588 -176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -94.08 117.44 30.1 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.333 0.587 . . . . 0.0 112.241 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 98' ' ' GLY . . . -106.78 154.9 39.86 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -63.47 -33.44 68.85 Favored 'Trans proline' 0 CA--C 1.521 -0.172 0 C-N-CA 122.202 1.935 . . . . 0.0 112.106 -177.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 97' ' ' GLN . 3.1 pt20 -98.6 16.06 23.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.824 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.467 ' O ' ' HB3' ' A' ' 95' ' ' ALA . . . 147.0 163.05 10.28 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.315 -0.945 . . . . 0.0 113.019 176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.4 t -90.01 132.74 33.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.926 0.393 . . . . 0.0 110.163 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 89.7 m -105.06 119.93 40.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.678 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.3 t -90.62 106.77 17.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.629 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.472 ' HA ' ' HB3' ' A' ' 6' ' ' GLU . 22.2 ttt180 -99.77 111.99 24.27 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.762 -176.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.7 t -105.77 107.93 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.347 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 t -106.06 104.94 14.75 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 109.157 -0.682 . . . . 0.0 109.157 177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -118.11 149.59 40.77 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.143 0.497 . . . . 0.0 111.096 -175.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.611 ' O ' ' HD2' ' A' ' 86' ' ' ARG . 60.3 t -74.58 136.31 25.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.54 175.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -122.89 147.01 47.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.936 0.398 . . . . 0.0 110.982 -177.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -83.98 134.63 34.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.259 176.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.0 p -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -171.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.53 -34.93 78.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.004 0.43 . . . . 0.0 111.653 -177.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -93.06 131.51 33.0 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.665 -171.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -44.69 118.74 1.97 Allowed 'Trans proline' 0 C--O 1.238 0.478 0 C-N-CA 123.778 2.985 . . . . 0.0 113.139 -176.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.1 t -56.88 -30.93 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.448 178.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -51.43 -54.1 30.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.973 177.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -68.78 -40.58 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.225 -176.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -66.74 -44.12 82.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.961 -178.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -69.46 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.887 -178.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -65.2 -35.16 80.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.099 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -59.24 -53.86 42.77 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.074 179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.413 ' HB3' HG21 ' A' ' 5' ' ' VAL . 55.1 m95 -66.72 -35.35 79.92 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.304 -0.158 . . . . 0.0 111.193 179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -62.06 -43.95 97.72 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.216 -0.193 . . . . 0.0 110.972 176.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -44.61 92.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.309 178.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.6 mt -60.44 -48.08 89.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.78 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.35 -40.28 95.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.511 -179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.612 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 22.2 m-80 -66.62 -37.81 85.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 110.6 178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.646 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 56.1 t30 -69.48 -36.65 76.73 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.498 ' O ' HG23 ' A' ' 131' ' ' VAL . 84.4 t80 -58.81 -48.05 82.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.002 173.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -55.29 -48.3 74.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.824 176.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.612 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 39.8 mmt180 -55.75 -49.1 74.03 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.109 0.48 . . . . 0.0 110.305 177.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -63.94 -49.0 74.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.978 -175.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 127' ' ' PHE . 61.2 t -64.13 -44.77 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -175.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.416 ' HA ' ' HG ' ' A' ' 135' ' ' LEU . 52.8 mt-10 -72.69 -18.49 61.54 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.301 -178.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.9 m -87.72 -5.77 58.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.016 0.436 . . . . 0.0 110.418 173.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -102.12 -1.55 31.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.099 0.476 . . . . 0.0 109.864 -179.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 11' ' ' ALA . 79.8 mt -67.23 140.63 57.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.056 -178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.9 mp0 -79.78 -172.48 3.36 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.262 -178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -148.35 176.38 10.32 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -52.56 118.36 3.55 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.185 0.516 . . . . 0.0 110.351 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -78.81 82.43 5.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.552 0.692 . . . . 0.0 110.315 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -153.35 110.08 3.41 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -101.32 169.66 8.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.266 0.555 . . . . 0.0 111.389 -171.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 . . . . . 0 C--N 1.317 -0.841 0 CA-C-N 114.769 -1.105 . . . . 0.0 108.131 170.484 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.78 0.324 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -133.84 158.62 42.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.153 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 67.7 mt -121.52 127.58 75.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.171 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 17.0 m -106.49 111.36 23.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.543 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.72 148.74 21.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.934 177.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 11.2 pt-20 -148.41 160.26 43.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.997 0.427 . . . . 0.0 111.597 -177.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.6 t -156.18 142.09 18.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.389 177.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 34.0 m -97.31 118.48 33.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.913 0.387 . . . . 0.0 111.311 -176.64 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.547 HG13 ' HG3' ' A' ' 128' ' ' LYS . 16.4 t -100.23 143.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.785 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.63 11.67 5.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.903 0.382 . . . . 0.0 111.748 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.435 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . . . -100.28 150.29 36.79 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.731 -179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 11' ' ' ALA . 12.8 Cg_exo -68.14 153.84 73.83 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.576 2.184 . . . . 0.0 111.95 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.31 -23.92 34.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.788 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.56 84.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.537 -0.839 . . . . 0.0 111.815 178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.548 0.213 . . . . 0.0 110.829 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 74.3 t -59.95 -42.41 89.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.949 0.404 . . . . 0.0 109.993 174.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 68.7 t-105 -56.31 -53.04 61.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 18' ' ' ARG . 18.5 mtp180 -63.7 -44.68 92.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.684 -177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.02 -22.63 67.02 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -176.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -91.6 -17.61 25.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.723 0.297 . . . . 0.0 110.959 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 p -110.26 -16.32 13.77 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -175.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 26' ' ' ILE . 29.8 m -89.88 117.6 68.24 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 122.308 -0.245 . . . . 0.0 110.878 -178.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.17 -31.5 66.05 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.22 2.613 . . . . 0.0 112.791 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -33.53 72.43 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.24 -39.07 10.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.962 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 77.6 mt -51.73 -46.52 38.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.424 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.532 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -67.46 -8.53 34.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.854 -176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -91.75 -43.06 9.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.746 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.459 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 43.3 p-90 -100.16 -13.9 18.75 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -174.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.42 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 64.1 t30 -77.09 84.9 3.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.94 0.4 . . . . 0.0 110.75 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -170.96 124.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.126 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.25 -28.12 61.96 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.28 0.562 . . . . 0.0 110.574 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.5 t -133.93 152.72 51.96 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -70.74 -8.57 53.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.522 0.201 . . . . 0.0 111.015 -177.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.65 -18.15 54.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.237 0.541 . . . . 0.0 109.719 175.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.566 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 56.6 m95 -96.73 161.69 13.76 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.309 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -161.22 157.03 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.532 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 25.2 m -86.56 113.95 22.89 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 173.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -82.84 -32.2 27.64 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.029 -173.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -150.72 135.16 17.12 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.981 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -150.78 116.19 5.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.996 0.427 . . . . 0.0 111.512 -177.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -118.33 118.1 30.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.365 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.575 HG22 ' HB2' ' A' ' 51' ' ' PHE . 59.5 t -118.94 122.7 69.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.589 0.233 . . . . 0.0 111.088 -176.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -110.7 101.01 9.68 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 174.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.4 tp -82.96 109.78 17.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.809 -172.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -177.81 166.98 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 174.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.03 113.79 11.62 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 175.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.67 -4.81 50.59 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -173.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -85.68 162.29 35.86 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -132.66 160.27 37.19 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.053 0.454 . . . . 0.0 111.127 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.575 ' HB2' HG22 ' A' ' 43' ' ' VAL . 53.1 p90 -129.4 141.74 50.97 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.941 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.664 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 16.3 m -119.82 115.0 22.97 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.897 177.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.3 p -128.09 110.46 12.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.053 0.454 . . . . 0.0 110.849 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.594 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 12.3 ttp180 -96.21 110.53 22.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.727 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.566 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 38.6 ttm -99.46 119.33 37.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.655 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.538 ' HA ' ' HA2' ' A' ' 63' ' ' GLY . 66.5 mt-10 -125.38 158.53 34.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.892 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.98 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -62.73 -21.45 65.81 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -173.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -86.35 -14.7 42.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.924 0.393 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.71 -2.83 73.69 Favored Glycine 0 C--N 1.331 0.253 0 C-N-CA 121.058 -0.591 . . . . 0.0 113.188 177.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -66.03 -27.47 68.13 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.8 mtm -147.25 161.98 39.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.664 -0.244 . . . . 0.0 110.355 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.538 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . 163.91 140.46 2.88 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.561 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -150.89 156.04 40.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.7 0.25 . . . . 0.0 110.598 -178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.594 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.7 p-10 -101.19 120.11 39.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.597 0.713 . . . . 0.0 110.447 176.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -107.38 118.62 37.21 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.253 -179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -120.37 135.31 55.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.823 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -134.53 154.23 21.37 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.634 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 19.8 m -118.34 125.81 50.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.906 0.353 . . . . 0.0 110.78 -178.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -73.24 119.07 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.114 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.5 p -92.09 -36.0 13.59 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.726 0.298 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -147.49 128.04 14.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.976 0.417 . . . . 0.0 109.933 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 63.9 t -118.9 133.27 66.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 -176.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' A' ' 77' ' ' LYS . 43.8 t -130.66 112.96 23.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -63.21 132.31 51.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.697 0.284 . . . . 0.0 111.066 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 m120 67.27 18.83 10.3 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.404 -0.817 . . . . 0.0 111.485 175.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.568 ' HB2' ' CG1' ' A' ' 74' ' ' VAL . 18.3 mmtt -134.35 -70.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.932 0.396 . . . . 0.0 111.974 179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.716 HH22 ' HD2' ' A' ' 89' ' ' LYS . 10.2 ptm85 -154.4 145.23 22.52 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.191 0.52 . . . . 0.0 112.117 -169.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.468 ' HB ' ' HB ' ' A' ' 90' ' ' VAL . 54.6 mt -119.94 111.13 31.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.254 177.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -111.3 112.54 24.38 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 52.3 p90 -137.25 151.66 48.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.196 0.522 . . . . 0.0 111.117 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.608 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.29 144.3 44.41 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.16 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 p90 -129.73 112.98 14.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.398 0.618 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 -103.43 1.58 Allowed Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.464 -0.874 . . . . 0.0 111.19 -176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -122.98 -1.95 8.76 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.763 0.316 . . . . 0.0 110.705 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -122.5 139.24 54.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.914 0.387 . . . . 0.0 111.046 -177.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 10.2 t -106.75 163.62 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.488 -174.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.72 145.56 32.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.946 177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.716 ' HD2' HH22 ' A' ' 78' ' ' ARG . 39.7 mtmt -113.6 134.98 54.4 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.946 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.468 ' HB ' ' HB ' ' A' ' 79' ' ' ILE . 61.6 t -112.89 106.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 168.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -110.99 133.3 53.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.013 -174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -102.83 104.51 14.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.029 0.443 . . . . 0.0 110.346 -178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.477 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 76.0 mt -90.45 110.89 21.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.305 -178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -70.97 111.59 6.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.055 0.455 . . . . 0.0 110.639 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.26 159.56 29.68 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.501 174.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.1 -21.42 67.94 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.257 1.971 . . . . 0.0 112.348 178.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -101.17 -1.23 34.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.605 -176.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 148.19 -164.54 28.96 Favored Glycine 0 C--O 1.223 -0.573 0 C-N-CA 120.494 -0.86 . . . . 0.0 112.064 -178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.8 119.45 58.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 120.922 0.391 . . . . 0.0 110.86 -178.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 48.7 m -89.03 111.57 22.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.071 177.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 41.7 t -83.12 106.62 14.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.883 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -101.59 113.99 27.62 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 89' ' ' LYS . 68.3 t -109.38 112.79 42.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.081 178.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.5 t -110.12 106.89 16.53 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -119.74 142.82 48.19 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.839 -174.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.59 122.19 24.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 174.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.65 148.16 24.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.867 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.28 118.69 6.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.471 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 20.4 p -71.99 -6.04 39.28 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.086 0.469 . . . . 0.0 111.268 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.55 2.97 48.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.663 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -129.13 150.96 76.86 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.145 -179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.18 140.36 88.63 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.712 2.274 . . . . 0.0 112.756 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.61 -42.09 94.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.692 178.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -47.28 -55.39 8.79 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.704 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -66.1 -42.42 89.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.525 -175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -67.84 -38.57 83.35 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.936 0.398 . . . . 0.0 110.785 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -67.5 -53.04 32.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.55 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -62.19 -33.88 75.38 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.884 -177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.467 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -61.73 -56.69 21.43 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.188 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -67.87 -34.42 76.65 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.646 0.26 . . . . 0.0 111.063 -179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.55 -42.21 99.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.735 0.303 . . . . 0.0 110.272 177.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.75 -40.16 91.82 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.431 177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 119' ' ' GLY . 82.8 mt -60.5 -43.82 95.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.394 176.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 103' ' ' VAL . 60.9 mt -64.28 -39.31 93.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.39 178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -72.25 -37.47 69.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.571 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -68.09 -34.92 77.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 175.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.529 ' O ' HG23 ' A' ' 131' ' ' VAL . 76.2 t80 -58.58 -56.59 20.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.73 172.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.547 ' HG3' HG13 ' A' ' 9' ' ' VAL . 79.4 tttt -53.21 -46.85 69.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.799 177.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.0 ttt180 -50.41 -54.59 20.71 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.085 177.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 80.3 t60 -68.98 -39.15 79.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.566 -176.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 127' ' ' PHE . 95.4 t -68.18 -41.46 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -176.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.42 ' OE2' ' HE3' ' A' ' 128' ' ' LYS . 77.9 mt-10 -69.39 -33.88 73.69 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.659 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.0 p -79.52 -2.24 41.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.158 0.504 . . . . 0.0 110.455 174.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 18.5 t-80 -93.43 -7.8 43.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.461 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 62.6 mt -90.73 -71.03 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.711 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' ' 137' ' ' HIS . 36.9 mt-10 -125.44 -148.72 0.4 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.657 -176.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 136' ' ' GLU . 77.1 t60 82.55 -14.31 0.77 Allowed 'General case' 0 N--CA 1.469 0.505 0 O-C-N 124.021 0.826 . . . . 0.0 110.664 178.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 39.7 m80 63.12 -92.12 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.594 176.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -177.69 164.45 1.99 Allowed 'General case' 0 C--N 1.332 -0.18 0 O-C-N 123.291 0.369 . . . . 0.0 110.393 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -64.99 138.65 58.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.523 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -107.7 -66.33 1.04 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--O 1.244 0.773 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.534 172.366 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -118.74 117.93 30.23 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.353 -175.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.556 HD11 HG13 ' A' ' 113' ' ' VAL . 63.5 mt -88.85 130.16 38.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 m -107.7 110.03 21.77 Favored 'General case' 0 N--CA 1.444 -0.775 0 CA-C-O 121.28 0.562 . . . . 0.0 110.12 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.477 HG23 ' HB ' ' A' ' 103' ' ' VAL . 14.8 m -114.39 135.25 54.78 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.437 176.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 10.9 pt-20 -142.15 150.34 40.96 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 120.89 0.376 . . . . 0.0 111.105 -175.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' CG2' ' HB3' ' A' ' 124' ' ' LEU . 14.6 t -150.77 133.95 16.13 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.28 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 29.1 m -96.35 102.89 14.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.168 0.508 . . . . 0.0 110.611 -178.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.9 t -79.19 141.0 15.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.426 178.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.37 12.15 2.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 0.0 111.915 -178.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.433 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.19 148.43 35.92 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.524 -179.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -64.18 155.62 64.06 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.86 2.374 . . . . 0.0 112.079 177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.3 p -61.44 -30.23 47.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.668 -174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -61.92 -32.04 80.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.404 179.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -85.13 -39.69 17.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.739 0.304 . . . . 0.0 110.829 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.5 t -64.0 -44.06 97.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.967 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -55.38 -47.3 76.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.467 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 69.8 mtt-85 -73.52 -40.76 63.78 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.209 -174.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.69 -29.53 70.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.462 . . . . 0.0 111.094 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -82.41 -19.06 39.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 p -110.91 2.01 17.91 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.549 ' O ' HG13 ' A' ' 26' ' ' ILE . 58.4 m -99.37 105.84 35.54 Favored Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 9.7 Cg_endo -52.64 -36.2 70.94 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.651 2.9 . . . . 0.0 113.074 -174.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 31.1 mt-10 -62.18 -38.94 90.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.746 -179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -82.55 -33.58 28.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.486 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.549 HG13 ' O ' ' A' ' 22' ' ' THR . 68.1 mt -55.24 -41.22 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.522 179.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.543 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 52.3 mtmt -57.47 -19.82 26.72 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -177.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -92.97 -25.64 17.91 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.039 0.385 . . . . 0.0 112.039 -173.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 48.4 p-90 -111.04 -19.08 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.123 -0.631 . . . . 0.0 111.994 -177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -82.62 90.36 6.81 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.053 0.454 . . . . 0.0 110.467 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.47 105.32 0.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.013 179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.08 -18.62 59.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.862 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.6 t -136.87 158.83 43.56 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.299 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.93 -31.3 72.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.756 -179.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 19.6 m-20 -81.04 -16.57 52.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.425 -175.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.462 ' HE3' ' HG3' ' A' ' 55' ' ' MET . 80.3 m95 -114.05 146.79 39.72 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.82 -173.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -162.96 151.14 13.92 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 175.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.543 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 26.2 m -69.72 114.44 7.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.733 -0.212 . . . . 0.0 110.551 178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.2 p -89.66 -42.64 11.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.064 0.459 . . . . 0.0 110.588 179.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.92 120.42 33.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.294 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.74 112.98 14.77 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.1 m -119.97 113.16 20.11 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 51' ' ' PHE . 90.2 t -120.48 116.64 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.868 -175.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -98.01 98.98 10.24 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 56.3 tp -80.9 99.35 8.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.289 0.566 . . . . 0.0 110.995 -175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -172.36 157.68 4.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.962 . . . . 0.0 108.877 175.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.03 115.73 13.84 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.1 15.6 41.27 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.556 -0.83 . . . . 0.0 111.321 -171.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -99.54 178.23 29.95 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.98 -0.628 . . . . 0.0 111.586 177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -141.87 147.48 37.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.773 0.32 . . . . 0.0 110.784 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 31.8 p90 -127.44 150.15 49.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.165 178.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.5 t -135.36 126.91 28.81 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 19.2 p -128.59 106.0 8.67 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.907 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.637 ' HA ' ' HA ' ' A' ' 65' ' ' ASP . 35.6 ttp180 -83.1 114.22 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.42 0.629 . . . . 0.0 111.118 -176.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.462 ' HG3' ' HE3' ' A' ' 36' ' ' TRP . 44.7 tpp -95.49 114.87 26.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.788 -1.096 . . . . 0.0 108.922 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HG3' ' HG2' ' A' ' 54' ' ' ARG . 48.4 mt-10 -123.48 150.62 43.67 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.934 0.397 . . . . 0.0 110.994 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.42 119.85 23.02 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.854 175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 16.7 ptpt -62.73 -37.15 85.41 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.647 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -95.53 -14.31 23.75 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.275 -0.421 . . . . 0.0 112.052 -174.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -117.5 -151.9 9.4 Favored Glycine 0 N--CA 1.432 -1.618 0 C-N-CA 120.009 -1.091 . . . . 0.0 112.793 -174.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.3 m -116.6 -11.39 11.05 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 114.63 -0.785 . . . . 0.0 111.381 -174.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.5 mtp -75.29 140.37 43.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.629 -173.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.457 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . -164.73 138.41 5.24 Favored Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.76 177.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.45 143.67 34.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.688 0.28 . . . . 0.0 110.296 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.637 ' HA ' ' HA ' ' A' ' 54' ' ' ARG . 8.8 p-10 -92.08 123.51 35.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.216 0.532 . . . . 0.0 110.503 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -93.89 106.2 18.18 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -114.49 141.99 46.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.967 -176.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.2 152.16 24.31 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.731 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 16.2 m -112.94 126.72 55.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.633 0.254 . . . . 0.0 110.458 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -76.25 113.95 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.197 -176.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.2 p -88.23 -33.09 18.23 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -147.14 123.98 11.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.478 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.4 t -113.82 115.35 49.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.174 175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB3' ' A' ' 77' ' ' LYS . 37.3 t -117.48 112.5 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.506 176.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.42 132.25 53.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.111 -172.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.24 30.55 1.48 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.878 1.271 . . . . 0.0 113.092 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HB3' HG12 ' A' ' 74' ' ' VAL . 80.6 tttt -137.34 -66.87 0.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.929 -0.308 . . . . 0.0 111.439 -179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -150.58 134.51 16.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.272 0.558 . . . . 0.0 112.035 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.2 mt -114.72 113.08 42.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.451 174.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -116.43 124.28 49.61 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.076 0.465 . . . . 0.0 110.405 179.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -143.63 158.84 43.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.841 -177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.44 141.52 48.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.265 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.44 107.6 7.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.267 0.556 . . . . 0.0 110.34 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.92 -121.08 20.88 Favored Glycine 0 N--CA 1.447 -0.568 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.132 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -92.56 -1.76 56.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.983 0.42 . . . . 0.0 111.238 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -120.44 171.94 8.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.552 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 8.9 t -147.13 159.33 43.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.46 137.37 33.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.955 0.407 . . . . 0.0 111.453 -177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 ttmm -113.86 112.13 22.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.859 177.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.472 HG13 HG22 ' A' ' 103' ' ' VAL . 41.8 t -109.06 107.84 23.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.309 179.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -114.5 145.24 42.16 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.071 0.462 . . . . 0.0 110.92 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -106.65 104.42 14.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.013 -179.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 63.7 mt -96.76 106.56 18.87 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.174 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.55 108.7 1.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.286 0.565 . . . . 0.0 110.575 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.536 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.45 165.56 12.74 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.962 -173.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.536 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 11.1 Cg_endo -55.15 -28.62 62.0 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.776 2.318 . . . . 0.0 113.394 177.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HB2' HG21 ' A' ' 8' ' ' THR . 85.4 mm-40 -91.7 -10.88 38.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.62 0.248 . . . . 0.0 111.484 -178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 150.24 -111.33 0.51 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.547 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 45.3 t -136.82 121.28 24.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.973 0.416 . . . . 0.0 110.982 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 26.5 m -86.6 109.98 19.52 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 176.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 42.4 t -81.49 105.75 11.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -102.55 107.92 19.03 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.365 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.477 ' HB ' HG23 ' A' ' 5' ' ' VAL . 44.9 t -101.72 107.97 22.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.962 178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.5 m -103.52 104.28 14.33 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 175.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -122.87 145.51 48.39 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.046 0.45 . . . . 0.0 111.193 -173.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.0 t -76.68 129.13 37.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.798 177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -109.53 147.1 33.52 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 110' ' ' GLU . 10.1 tp10 -73.78 139.62 45.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.509 176.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.6 p -87.42 -13.38 43.48 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -172.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.425 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 43.3 mt-10 -99.16 8.2 45.08 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.004 0.431 . . . . 0.0 111.201 -177.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -119.67 153.77 54.5 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.763 178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -56.69 102.61 0.11 Allowed 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 122.777 2.318 . . . . 0.0 112.317 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.556 HG13 HD11 ' A' ' 3' ' ' ILE . 67.3 t -65.32 -40.92 90.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.364 -175.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -40.62 75.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -179.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -69.46 -36.01 76.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.19 0.519 . . . . 0.0 110.36 -178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -72.19 -39.88 68.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.694 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.01 -47.44 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.905 176.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -64.21 -45.38 88.53 Favored 'General case' 0 N--CA 1.441 -0.903 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.092 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.444 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.9 -52.32 52.94 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 115.92 -0.582 . . . . 0.0 113.193 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 31.1 m95 -64.78 -34.43 78.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.622 0.211 . . . . 0.0 111.13 -178.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -69.11 -40.06 78.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.985 0.421 . . . . 0.0 110.154 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.93 -40.4 88.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.96 0.41 . . . . 0.0 110.19 175.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 119' ' ' GLY . 81.9 mt -63.69 -44.11 98.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.627 176.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 5' ' ' VAL . 55.2 mt -63.88 -43.74 95.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.594 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.502 ' O ' ' HG3' ' A' ' 129' ' ' ARG . 87.5 m-20 -66.84 -33.59 75.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.942 0.401 . . . . 0.0 110.668 178.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.571 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 64.0 t30 -69.62 -41.29 75.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.31 0.576 . . . . 0.0 109.453 176.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.462 ' O ' HG23 ' A' ' 131' ' ' VAL . 78.6 t80 -58.45 -48.63 80.11 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.06 173.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 8' ' ' THR . 62.2 tttm -51.6 -57.09 10.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.659 178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 125' ' ' ASN . 57.9 mtt-85 -58.42 -43.07 88.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.111 -178.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -65.88 -42.49 90.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.815 -177.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.484 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 90.5 t -68.47 -39.23 80.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.846 0.355 . . . . 0.0 110.853 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -71.1 -17.73 62.57 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.849 177.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 67.9 m -77.56 -13.18 59.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.266 172.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 131' ' ' VAL . 39.9 m-70 -75.87 -19.83 58.56 Favored 'General case' 0 N--CA 1.461 0.104 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 171.361 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 11' ' ' ALA . 49.4 mt -95.15 152.25 18.51 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.032 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 53.34 96.68 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.107 0.88 . . . . 0.0 111.946 174.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 61.7 t60 -71.68 91.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 -179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 71.8 t60 60.14 84.14 0.13 Allowed 'General case' 0 CA--C 1.529 0.172 0 O-C-N 123.917 0.76 . . . . 0.0 110.648 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -80.92 64.69 5.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.228 0.537 . . . . 0.0 111.088 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 62.18 -90.63 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.987 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -160.97 104.55 1.33 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 21.7 t60 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.435 -176.332 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.478 0.935 0 CA-C-O 120.693 0.282 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -119.27 116.31 25.99 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.42 HD11 HG13 ' A' ' 113' ' ' VAL . 64.9 mt -93.74 134.78 30.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 178.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.5 m -122.41 113.44 19.37 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.002 -179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.455 HG21 ' HB3' ' A' ' 120' ' ' TRP . 16.6 m -113.97 151.33 15.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.784 -0.643 . . . . 0.0 109.542 176.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 14.2 pt-20 -154.65 160.37 41.37 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.511 -0.475 . . . . 0.0 111.429 -175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.2 t -157.02 148.56 22.32 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.74 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.3 m -99.51 105.09 16.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.786 0.327 . . . . 0.0 110.991 -175.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG22 ' HB3' ' A' ' 128' ' ' LYS . 12.1 t -88.01 130.83 37.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.879 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.08 12.02 4.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.045 0.45 . . . . 0.0 111.75 -177.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' H ' HG12 ' A' ' 9' ' ' VAL . . . -101.77 154.28 37.4 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.56 146.11 92.43 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.758 2.305 . . . . 0.0 112.045 176.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -58.22 -29.23 36.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.143 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.3 -44.44 98.08 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.318 178.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -77.04 -37.56 54.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.73 -43.02 94.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.249 177.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 55.0 t-105 -57.43 -49.72 75.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.015 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -72.02 -35.15 69.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.825 -174.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.5 75.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.083 0.468 . . . . 0.0 110.804 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -82.71 -11.77 58.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.868 -177.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.6 p -117.41 -0.42 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -174.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.522 ' O ' HG13 ' A' ' 26' ' ' ILE . 88.0 m -96.01 110.3 51.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -51.62 -43.66 49.22 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 123.534 2.823 . . . . 0.0 113.554 -173.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.531 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 8.7 pt-20 -71.7 -16.01 62.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 0.0 111.641 -176.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -95.38 -41.54 8.95 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.569 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 84.9 mt -50.93 -48.45 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.402 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.7 pttt -65.63 -6.99 12.81 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.14 -175.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -90.68 -25.5 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.589 0.233 . . . . 0.0 111.226 -179.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.569 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 31.7 p-90 -117.28 -11.95 10.56 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 179.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -78.88 84.36 4.93 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 120.955 0.407 . . . . 0.0 110.347 177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -171.88 112.62 0.31 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.931 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.25 13.0 26.96 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.222 -178.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.1 t -158.96 150.63 20.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.34 -177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -70.16 -19.38 63.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.018 0.437 . . . . 0.0 109.967 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -86.35 -16.42 37.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.319 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.642 ' HE3' ' HG2' ' A' ' 55' ' ' MET . 61.5 m95 -107.42 149.9 27.38 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -178.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -158.91 148.03 18.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.219 177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.4 m -83.7 113.68 21.05 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 172.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.12 -39.27 19.68 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.287 -175.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -142.56 146.97 35.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.396 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.23 130.82 14.9 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.812 0.339 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.0 m -141.76 125.8 17.29 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 176.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.509 HG22 ' HB2' ' A' ' 51' ' ' PHE . 96.6 t -132.81 125.02 51.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.654 0.264 . . . . 0.0 111.453 -173.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -105.37 98.35 8.07 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 173.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.9 tp -82.35 106.21 14.04 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.541 -174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.7 ptt-85 -173.31 164.06 4.63 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.501 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 81.5 mt-10 -70.91 105.55 3.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 175.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 13.85 30.85 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.436 -173.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -91.19 179.07 42.18 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.945 -0.645 . . . . 0.0 111.851 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.02 160.34 40.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.789 0.328 . . . . 0.0 110.581 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.509 ' HB2' HG22 ' A' ' 43' ' ' VAL . 42.0 p90 -138.46 147.7 43.56 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.133 178.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.9 p -134.25 124.69 26.33 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.202 177.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.8 t -128.56 133.57 48.41 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.9 mmm180 -102.36 93.64 5.28 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.903 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.642 ' HG2' ' HE3' ' A' ' 36' ' ' TRP . 35.5 ttp -101.67 118.66 37.4 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 175.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -125.26 159.3 31.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.594 -174.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.404 ' HB3' ' H ' ' A' ' 62' ' ' MET . . . -95.51 136.32 36.05 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.939 176.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -64.26 -43.69 94.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.849 -173.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -67.17 -20.22 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.081 0.467 . . . . 0.0 110.797 -177.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.94 19.89 25.34 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.64 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.1 t -75.07 -49.28 20.23 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.872 0.368 . . . . 0.0 110.509 179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.404 ' H ' ' HB3' ' A' ' 57' ' ' ALA . 82.7 mtp -138.82 167.43 22.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.214 0.53 . . . . 0.0 111.362 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 168.22 137.53 2.26 Favored Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 110.077 -1.209 . . . . 0.0 110.077 176.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -155.1 166.3 34.02 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.598 0.699 . . . . 0.0 112.168 -174.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -86.85 102.94 14.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.197 -0.911 . . . . 0.0 109.832 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -87.87 105.34 17.36 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.56 146.0 47.56 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.698 -175.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -154.87 170.13 33.1 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.865 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.0 m -117.2 132.8 56.56 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.948 -0.389 . . . . 0.0 109.948 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 -80.43 110.72 16.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.385 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 17.1 p -84.04 -32.66 24.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.74 -179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 80' ' ' GLU . 18.1 tptm -147.81 127.05 12.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.655 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 ' H ' ' HG2' ' A' ' 47' ' ' GLU . 99.0 t -135.38 102.65 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.687 -178.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.621 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.1 p -113.43 119.61 61.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.241 0.543 . . . . 0.0 109.641 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 44.8 tt0 -66.22 131.77 46.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.514 -171.31 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.406 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.9 OUTLIER 68.53 28.0 6.03 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.198 178.32 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.621 ' HB2' HG13 ' A' ' 74' ' ' VAL . 35.3 mmtm -138.45 -76.24 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.627 177.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.583 ' HD2' ' HB3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -157.43 150.88 23.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.1 0.476 . . . . 0.0 111.798 -179.56 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 89' ' ' LYS . 51.0 mt -113.51 116.06 51.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.912 178.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . 33.0 tt0 -110.66 123.49 50.11 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -147.7 160.13 43.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.981 0.419 . . . . 0.0 111.287 -177.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -123.98 131.32 53.55 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.359 178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -128.18 118.93 24.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.298 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 66.64 -108.6 2.48 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.765 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -113.25 0.14 14.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.839 0.352 . . . . 0.0 110.342 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 86' ' ' ARG . 20.8 mmt180 -118.94 135.7 54.46 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.914 0.387 . . . . 0.0 111.206 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.505 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.0 t -112.39 148.99 33.13 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.842 178.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.92 143.51 34.65 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 -177.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 29.0 ttpt -127.05 112.4 15.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.327 0.584 . . . . 0.0 110.169 176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.401 HG13 HG22 ' A' ' 103' ' ' VAL . 44.8 t -88.19 113.62 25.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.502 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -106.36 134.66 49.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.01 0.433 . . . . 0.0 110.602 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -105.75 108.65 20.27 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.557 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 61.3 mt -90.37 115.4 27.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.273 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -79.23 106.09 11.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.266 0.555 . . . . 0.0 111.058 -177.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.37 158.16 33.28 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.373 175.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.42 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 19.4 Cg_endo -59.52 -31.04 93.93 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 122.454 2.102 . . . . 0.0 113.079 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -96.66 -23.89 16.26 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -177.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -173.97 -168.96 35.63 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.169 -1.015 . . . . 0.0 112.672 -176.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 62.9 t -120.28 119.65 60.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.017 0.437 . . . . 0.0 110.517 -179.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.557 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 28.8 m -84.96 110.37 18.85 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.535 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.517 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 47.3 t -85.19 109.49 18.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -112.37 123.91 51.32 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 90' ' ' VAL . 45.6 t -112.27 107.72 23.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.635 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 28.1 t -103.44 113.83 27.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 174.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -130.44 149.85 51.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.879 0.371 . . . . 0.0 111.173 -177.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.5 t -72.35 121.0 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.429 ' HB1' ' OE1' ' A' ' 116' ' ' GLN . . . -103.09 146.92 27.66 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.86 -171.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -72.07 131.82 43.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.419 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 12.3 p -85.68 -11.26 54.21 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.265 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -82.75 -32.96 27.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.056 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -92.32 151.1 41.19 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.506 -176.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' A' ' 116' ' ' GLN . 42.8 Cg_exo -57.22 129.25 33.21 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.794 2.329 . . . . 0.0 112.384 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.42 HG13 HD11 ' A' ' 3' ' ' ILE . 65.6 t -64.76 -29.95 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.99 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -51.73 -56.67 12.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.434 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.28 -32.79 73.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.196 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 112' ' ' PRO . 59.0 mt-30 -68.11 -47.81 67.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.286 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -71.95 -53.11 14.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.189 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.78 -37.25 86.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.969 -177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.481 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.78 -58.51 13.44 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.142 179.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.455 ' HB3' HG21 ' A' ' 5' ' ' VAL . 41.8 m95 -63.3 -36.14 82.68 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.461 0.172 . . . . 0.0 111.38 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -63.43 -43.74 96.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.546 0.212 . . . . 0.0 110.441 178.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.62 96.79 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.604 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' GLY . 77.6 mt -62.16 -41.72 92.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.303 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 67.4 mt -67.1 -36.87 82.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.136 177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -67.81 -41.25 83.41 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -62.71 -41.16 99.01 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 174.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 131' ' ' VAL . 63.3 t80 -58.77 -56.04 27.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.654 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.474 ' HB3' HG22 ' A' ' 9' ' ' VAL . 59.1 pttt -61.27 -42.67 99.04 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.836 -176.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 129' ' ' ARG . 48.3 mtp85 -62.67 -38.5 90.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.855 0.359 . . . . 0.0 110.627 178.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 134' ' ' HIS . 14.4 t60 -62.18 -39.8 93.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.412 177.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 127' ' ' PHE . 39.3 t -78.49 -44.91 26.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.102 -178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -57.58 -45.2 85.51 Favored 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 120.924 0.393 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 9.5 m -72.23 -17.38 61.91 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.958 -178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 130' ' ' HIS . 11.8 t-160 -88.54 -11.24 46.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.362 -177.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 11' ' ' ALA . 91.2 mt -70.59 -73.79 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.15 0.5 . . . . 0.0 110.72 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -90.4 78.74 6.37 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.409 0.623 . . . . 0.0 110.379 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -100.12 -45.72 5.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.716 176.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -157.54 23.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -136.67 99.32 4.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.183 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -126.82 88.36 2.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.375 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -125.15 143.05 51.13 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.158 -177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 17.6 p80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.621 -0.704 . . . . 0.0 110.208 -178.147 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -81.05 122.61 27.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.871 0.367 . . . . 0.0 111.147 -176.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.442 HD11 HG13 ' A' ' 113' ' ' VAL . 62.9 mt -112.09 130.76 65.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.821 177.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.6 m -107.73 112.82 25.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.483 HG23 ' HB ' ' A' ' 103' ' ' VAL . 16.0 m -113.85 137.7 46.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 174.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -142.34 145.86 34.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.203 0.525 . . . . 0.0 111.989 -172.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t -144.76 130.17 18.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.135 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 89.0 m -101.68 111.05 23.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.948 0.404 . . . . 0.0 110.847 -179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.75 145.79 8.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.821 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.69 11.23 4.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.962 0.41 . . . . 0.0 111.904 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.818 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -99.68 152.62 37.87 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.757 -179.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.473 ' HD2' ' HD2' ' A' ' 15' ' ' LYS . 8.4 Cg_exo -69.66 156.0 64.77 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.504 2.136 . . . . 0.0 111.297 175.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.451 HG13 ' OD1' ' A' ' 76' ' ' ASN . 9.7 p -59.82 -28.17 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.979 -176.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' O ' ' HG3' ' A' ' 18' ' ' ARG . . . -60.06 -36.71 91.24 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 121.114 -0.565 . . . . 0.0 112.37 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HD2' ' HD2' ' A' ' 12' ' ' PRO . 67.6 mttm -84.8 -41.19 16.36 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.4 t -63.54 -45.04 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.284 -177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.51 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.4 t-105 -56.26 -49.52 73.96 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.308 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 14' ' ' GLY . 77.8 mtt-85 -67.6 -39.41 84.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 -173.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.45 -32.55 70.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 0.0 111.374 -179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 t80 -81.54 -15.75 53.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.19 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' HB ' HD22 ' A' ' 45' ' ' LEU . 23.1 p -108.36 -31.17 7.95 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.491 ' O ' HG13 ' A' ' 26' ' ' ILE . 30.0 m -76.5 112.18 20.07 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 120.547 0.213 . . . . 0.0 110.845 -177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 16.4 Cg_endo -57.7 -24.66 64.28 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.121 2.548 . . . . 0.0 112.585 -176.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HA ' ' NZ ' ' A' ' 27' ' ' LYS . 8.0 tp10 -66.11 -37.2 85.15 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.297 178.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -88.09 -33.59 18.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.882 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 ' HA ' ' CE2' ' A' ' 29' ' ' TRP . 68.4 mt -52.39 -43.93 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.679 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 33.8 mtmm -64.41 -8.07 12.1 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -177.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -91.22 -18.41 24.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.902 -0.135 . . . . 0.0 111.209 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.504 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 50.0 p-90 -132.22 -3.5 3.49 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.76 80.77 2.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.206 0.527 . . . . 0.0 111.05 -178.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -169.7 132.5 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.081 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.19 -23.55 51.48 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.549 0.69 . . . . 0.0 109.701 175.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 71.1 m -156.25 158.18 37.09 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.088 177.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -69.36 -4.42 18.23 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -176.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -79.3 -11.78 59.94 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.994 0.426 . . . . 0.0 110.844 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -106.45 148.18 28.46 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.174 178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -137.31 139.1 40.65 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 177.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.4 m -80.64 115.05 19.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -38.32 21.9 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.863 -175.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -152.54 128.92 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.705 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.4 115.28 12.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.919 0.39 . . . . 0.0 110.687 -178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.6 m -122.85 117.22 25.11 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.914 177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.32 113.44 32.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.75 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -101.42 103.3 14.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.203 -0.665 . . . . 0.0 109.203 174.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD22 ' HB ' ' A' ' 21' ' ' THR . 55.8 tp -80.75 100.3 8.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.448 -174.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -168.32 162.67 12.7 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 174.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -70.34 100.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.34 15.19 20.14 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.561 -0.615 . . . . 0.0 111.561 -172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -94.18 144.25 17.03 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.746 177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -96.43 151.88 19.14 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.187 0.518 . . . . 0.0 111.039 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -135.24 144.62 46.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.308 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.2 t -146.88 121.47 9.77 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 46.5 m -127.53 112.06 14.5 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.971 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.669 HH11 ' HB2' ' A' ' 65' ' ' ASP . 19.8 mmm180 -82.79 102.65 11.72 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.256 176.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 86.3 mtp -102.3 112.57 25.31 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -124.52 151.94 44.04 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.182 -177.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.1 142.49 34.79 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.333 -178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.26 -19.69 63.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.737 -179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.48 -13.96 61.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.476 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.46 -11.31 66.25 Favored Glycine 0 C--N 1.331 0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 113.713 174.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.0 m -81.46 -63.89 1.3 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.031 0.416 . . . . 0.0 111.547 -176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mmm -82.57 148.24 28.16 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.45 138.19 3.77 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.003 177.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -147.14 164.27 33.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 0.0 111.057 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.669 ' HB2' HH11 ' A' ' 54' ' ' ARG . 18.1 t70 -123.95 123.56 40.67 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.132 -178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -97.29 106.29 18.59 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 173.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.88 128.7 49.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.017 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -161.24 -172.89 29.19 Favored Glycine 0 N--CA 1.442 -0.941 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.098 -178.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.8 m -129.71 134.85 47.87 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 -178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.488 ' CD1' ' HB3' ' A' ' 81' ' ' TYR . 86.0 m-85 -73.19 111.95 8.78 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.4 p -84.35 -34.04 23.74 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -177.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.858 ' HB2' ' HB3' ' A' ' 80' ' ' GLU . 31.4 mmtp -137.8 138.09 38.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.152 0.501 . . . . 0.0 110.731 177.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.1 t -136.04 100.76 2.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.053 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.455 ' HB ' ' HG2' ' A' ' 78' ' ' ARG . 24.3 t -104.91 100.46 10.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.51 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.7 tt0 -55.24 123.71 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.052 -173.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.451 ' OD1' HG13 ' A' ' 13' ' ' VAL . 48.8 m-80 67.49 22.96 9.14 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.269 -179.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' HB3' ' CG1' ' A' ' 74' ' ' VAL . 21.6 ttmm -139.62 -61.75 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.244 -0.582 . . . . 0.0 112.083 178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 13.0 ptp180 -152.46 151.29 30.58 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.303 -0.559 . . . . 0.0 111.907 -177.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 54.3 mt -124.35 118.98 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.454 175.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.858 ' HB3' ' HB2' ' A' ' 72' ' ' LYS . 20.2 tt0 -115.35 122.34 45.59 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 178.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.488 ' HB3' ' CD1' ' A' ' 70' ' ' TYR . 39.2 p90 -139.85 150.76 45.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.924 0.392 . . . . 0.0 111.135 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.61 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -117.98 124.61 48.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.92 177.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -119.45 123.64 44.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.241 -178.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -103.83 0.83 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.627 -0.796 . . . . 0.0 111.309 -174.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -117.37 -10.92 10.63 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.02 0.438 . . . . 0.0 110.406 177.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 108' ' ' GLU . 33.3 mtm180 -109.43 135.15 50.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.043 -172.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.61 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 11.7 t -108.46 153.18 23.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.627 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' HB3' ' CE1' ' A' ' 81' ' ' TYR . . . -132.03 139.87 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -117.08 110.98 18.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.988 0.423 . . . . 0.0 110.404 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.665 HG22 HG13 ' A' ' 103' ' ' VAL . 60.7 t -102.31 117.75 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.667 -179.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.73 134.58 54.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.078 0.466 . . . . 0.0 111.165 -177.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -99.17 104.46 16.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.753 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.565 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 64.2 mt -88.94 105.44 17.77 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -65.32 106.33 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.285 0.564 . . . . 0.0 110.376 178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.76 165.47 12.71 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.067 -175.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -59.4 -42.9 44.47 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 111.891 173.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 -90.47 15.93 9.83 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 135.51 -131.06 5.62 Favored Glycine 0 C--O 1.226 -0.377 0 C-N-CA 120.214 -0.993 . . . . 0.0 112.864 175.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 95.3 t -132.87 120.02 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.902 0.382 . . . . 0.0 110.47 179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.565 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 58.8 m -89.39 105.76 18.0 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.086 177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.95 105.52 12.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.683 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 52.9 ttp85 -105.51 112.95 26.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.996 0.427 . . . . 0.0 110.326 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.665 HG13 HG22 ' A' ' 90' ' ' VAL . 46.4 t -102.76 109.25 26.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.165 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.2 t -107.89 107.2 17.82 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -122.28 150.99 41.57 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.877 0.37 . . . . 0.0 111.133 -175.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.8 t -83.82 106.23 14.07 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 121.446 0.641 . . . . 0.0 109.864 175.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.72 146.98 23.33 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.406 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' ' 110' ' ' GLU . 37.4 tt0 -84.64 117.25 23.64 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 15.2 t -72.52 -2.49 19.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.531 -177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.466 ' H ' ' HG2' ' A' ' 108' ' ' GLU . 68.1 mm-40 -69.63 -38.85 77.34 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 174.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.612 ' HB2' ' NE2' ' A' ' 116' ' ' GLN . 51.0 m-85 -80.11 161.71 64.51 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 174.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -57.46 110.6 0.63 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.247 1.964 . . . . 0.0 111.304 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.442 HG13 HD11 ' A' ' 3' ' ' ILE . 57.6 t -61.09 -45.62 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.903 -173.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -64.44 -30.4 71.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.896 -175.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -69.89 -40.36 75.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.298 -177.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.612 ' NE2' ' HB2' ' A' ' 111' ' ' TYR . 54.6 mt-30 -63.83 -48.71 75.7 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.779 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -57.54 -44.95 85.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.551 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -61.52 -46.46 89.86 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.501 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -60.41 -49.27 80.41 Favored Glycine 0 N--CA 1.448 -0.515 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.453 -179.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.453 ' HB3' HG21 ' A' ' 5' ' ' VAL . 69.2 m95 -63.88 -43.16 96.87 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 -178.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 49.3 tp60 -64.12 -36.25 83.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.763 0.316 . . . . 0.0 110.298 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.24 94.61 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.623 177.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.5 mt -61.84 -41.53 91.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.38 177.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.21 -34.26 77.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.464 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -73.95 -40.13 63.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.761 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -64.68 -41.37 96.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.105 0.478 . . . . 0.0 109.793 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.473 ' O ' HG23 ' A' ' 131' ' ' VAL . 68.6 t80 -59.78 -49.26 78.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.391 174.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -55.33 -51.87 65.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.865 179.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -54.33 -48.08 71.79 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.445 177.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -56.77 -43.96 81.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.412 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.8 t -73.18 -49.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.427 -176.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.24 -35.99 81.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.71 0.291 . . . . 0.0 111.503 -177.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.5 t -73.51 -15.04 61.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.245 0.545 . . . . 0.0 110.022 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -94.94 -3.87 47.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.76 179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.818 HD11 ' HB2' ' A' ' 11' ' ' ALA . 79.9 mt -89.36 -70.77 0.64 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.523 175.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -125.62 105.36 8.95 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.024 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -169.3 63.22 0.05 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.806 175.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 59.91 44.2 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.913 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -89.43 19.81 4.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.685 0.755 . . . . 0.0 109.366 179.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -154.22 173.23 16.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.179 -0.918 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -127.44 150.78 49.49 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 -176.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.9 m170 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.303 -0.856 . . . . 0.0 109.647 175.685 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -134.13 114.65 13.35 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.796 0.332 . . . . 0.0 110.637 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 117' ' ' GLN . 66.1 mt -92.98 123.06 44.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.327 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.3 m -103.65 111.3 23.72 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.382 176.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 m -113.77 161.44 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.749 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.426 ' HA ' ' O ' ' A' ' 101' ' ' VAL . 12.5 pt-20 -148.42 157.99 43.82 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.922 0.391 . . . . 0.0 111.832 -174.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.515 ' HB ' ' HB3' ' A' ' 124' ' ' LEU . 8.8 t -149.87 131.88 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.253 173.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 m -98.86 105.99 18.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.682 0.277 . . . . 0.0 110.267 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 HG12 ' H ' ' A' ' 11' ' ' ALA . 17.8 t -91.33 135.56 26.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.172 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.09 12.09 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.118 -177.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -108.73 153.51 42.25 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.371 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.65 154.4 55.01 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.53 2.153 . . . . 0.0 111.857 176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.46 -29.67 44.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.205 -172.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.84 -43.92 98.67 Favored Glycine 0 CA--C 1.519 0.299 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.2 179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.86 -44.18 73.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.888 0.375 . . . . 0.0 110.289 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.91 -43.6 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.601 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.448 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 48.6 t-105 -56.52 -51.6 67.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.962 178.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 18' ' ' ARG . 20.7 mtp180 -67.95 -44.95 75.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.784 -175.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.38 -24.94 68.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.071 0.462 . . . . 0.0 111.248 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -86.96 -18.5 30.59 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.013 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.2 p -114.2 1.79 14.64 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 -174.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 26' ' ' ILE . 36.0 m -95.97 113.7 62.67 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.635 178.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.524 ' HB3' ' O ' ' A' ' 41' ' ' ALA . 72.2 Cg_exo -50.39 -40.19 53.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.615 2.876 . . . . 0.0 113.657 -175.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -63.03 -37.17 86.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.063 -176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -76.8 -44.66 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.915 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.545 HG12 ' CZ2' ' A' ' 29' ' ' TRP . 77.7 mt -52.2 -47.15 44.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.199 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.32 -178.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.547 ' HA ' ' HB ' ' A' ' 38' ' ' THR . 49.8 mtmt -57.84 -20.93 39.67 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -177.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.08 -31.7 11.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 120.508 -0.477 . . . . 0.0 111.294 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.581 ' HA ' ' ND2' ' A' ' 126' ' ' ASN . 19.4 p-90 -97.85 -14.5 20.69 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.629 -0.829 . . . . 0.0 112.445 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.1 t30 -80.93 78.01 7.77 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.474 0.654 . . . . 0.0 109.551 176.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -174.92 152.68 1.55 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.841 -1.072 . . . . 0.0 109.632 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.82 -15.26 49.0 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.995 0.426 . . . . 0.0 110.628 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -173.7 165.66 4.49 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -70.67 -5.21 27.92 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.913 0.387 . . . . 0.0 110.448 178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.42 -12.29 61.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.595 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -120.7 161.82 20.75 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 172.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.603 ' CD2' ' HB2' ' A' ' 56' ' ' GLU . 0.7 OUTLIER -152.28 147.7 26.67 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.528 179.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.547 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 84.9 m -99.57 110.78 23.2 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 172.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.8 p -84.04 -42.36 16.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -173.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.25 120.86 29.65 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.541 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 52' ' ' SER . . . -139.1 99.3 3.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.258 176.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.422 ' O ' ' HA ' ' A' ' 51' ' ' PHE . 33.2 m -104.32 116.13 31.61 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.866 179.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.58 110.85 33.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.141 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -92.36 92.13 7.99 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 47.3 tp -79.94 95.09 6.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.383 -172.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -169.57 165.46 10.26 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.932 175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.1 115.47 11.37 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.71 35.48 11.56 Favored Glycine 0 N--CA 1.443 -0.837 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 -170.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -107.57 147.62 16.4 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -106.51 141.12 38.33 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.061 0.458 . . . . 0.0 111.183 -177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' A' ' 42' ' ' THR . 45.6 p90 -126.18 144.23 50.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.729 176.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.586 ' O ' ' HA ' ' A' ' 41' ' ' ALA . 26.5 m -129.95 122.58 28.8 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.814 177.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.6 t -128.59 112.37 14.22 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.997 0.427 . . . . 0.0 109.971 -179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -100.33 105.54 17.07 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.229 0.537 . . . . 0.0 110.667 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.422 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 49.0 ttm -93.17 121.34 34.43 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.295 176.192 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.603 ' HB2' ' CD2' ' A' ' 37' ' ' HIS . 55.9 mt-10 -116.65 154.91 29.72 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.495 179.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 62' ' ' MET . . . -78.26 135.24 37.52 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.625 -1.25 . . . . 0.0 107.625 169.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -67.52 -17.06 64.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.172 0.51 . . . . 0.0 110.237 -174.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -69.29 -22.72 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.454 174.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.49 -21.51 44.06 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.077 -0.583 . . . . 0.0 113.164 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 m -74.44 -14.87 60.9 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -174.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.427 ' HB2' ' CB ' ' A' ' 57' ' ' ALA . 56.7 mtt -128.54 146.56 50.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 0.0 110.972 179.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -179.68 140.82 4.44 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.11 -0.566 . . . . 0.0 111.874 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.422 ' CE1' ' HB3' ' A' ' 55' ' ' MET . 13.6 p90 -151.94 151.93 31.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.915 0.388 . . . . 0.0 111.308 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -108.39 116.26 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.288 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -107.96 113.24 26.29 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.087 0.47 . . . . 0.0 110.75 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.23 132.44 54.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.982 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.06 168.09 24.69 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.154 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 m -128.38 133.5 48.63 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.777 0.322 . . . . 0.0 110.361 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -76.51 113.66 14.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.145 177.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 11.0 p -83.66 -36.23 23.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.012 0.434 . . . . 0.0 110.357 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.542 ' HB2' ' HB2' ' A' ' 80' ' ' GLU . 33.0 mmtt -141.89 119.03 11.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.271 0.558 . . . . 0.0 111.15 176.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.9 t -112.31 105.18 18.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.917 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.532 HG12 ' HB3' ' A' ' 77' ' ' LYS . 18.2 t -108.96 96.53 4.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 38.6 tt0 -57.37 132.88 54.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.555 -173.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 70.67 9.14 6.8 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.257 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.532 ' HB3' HG12 ' A' ' 74' ' ' VAL . 60.6 tttp -131.48 -67.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -158.01 161.08 38.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.059 0.457 . . . . 0.0 112.103 -173.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.0 mt -132.94 127.62 55.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.779 -179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HB2' ' HB2' ' A' ' 72' ' ' LYS . 41.7 mt-10 -113.83 130.59 56.46 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -152.67 151.59 30.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.208 0.528 . . . . 0.0 111.239 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -116.11 125.21 52.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.43 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -122.57 124.03 42.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.131 0.491 . . . . 0.0 110.9 -175.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 63.62 -103.64 0.72 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.643 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -114.86 -4.23 12.66 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.472 ' HB3' ' HB ' ' A' ' 106' ' ' VAL . 78.8 mtm-85 -137.36 161.36 36.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.858 0.361 . . . . 0.0 111.032 -175.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.513 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.3 t -114.29 161.51 17.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.755 0.312 . . . . 0.0 110.922 -178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' A' ' 105' ' ' PHE . . . -142.7 138.28 30.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.353 178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.6 ttpp -118.24 114.18 22.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.581 HG22 HG13 ' A' ' 103' ' ' VAL . 52.3 t -106.19 126.33 61.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.158 -178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -124.08 134.48 53.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.773 0.321 . . . . 0.0 111.059 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.24 107.57 19.43 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.2 mt -106.17 110.33 22.54 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.689 -177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.601 ' HG2' HG22 ' A' ' 99' ' ' VAL . 33.1 mt-10 -74.37 117.07 15.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.559 0.695 . . . . 0.0 111.117 178.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.52 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -106.97 164.9 13.84 Favored Pre-proline 0 C--N 1.312 -1.05 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.019 175.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.52 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 27.8 Cg_endo -63.74 -11.26 25.75 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 C-N-CA 122.537 2.158 . . . . 0.0 112.507 177.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -106.06 -2.42 22.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.646 -179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 137.08 -174.4 21.71 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.536 -0.84 . . . . 0.0 111.821 -177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.601 HG22 ' HG2' ' A' ' 94' ' ' GLU . 48.9 t -94.54 118.77 41.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.068 0.461 . . . . 0.0 110.844 -176.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 29.1 m -93.88 108.6 20.37 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.211 178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 39.5 t -87.13 109.05 18.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.874 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -102.14 112.77 25.56 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.475 -178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.581 HG13 HG22 ' A' ' 90' ' ' VAL . 51.1 t -104.53 107.57 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.971 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 t -106.65 104.55 14.26 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 177.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 88' ' ' ALA . 46.8 p90 -116.47 143.52 45.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -174.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 86' ' ' ARG . 95.1 t -72.12 117.85 16.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.106 178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' ' 1' ' ' MET . . . -108.75 146.94 32.76 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.236 178.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.0 134.23 52.77 Favored 'General case' 0 C--N 1.314 -0.968 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.664 -176.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 10.2 p -73.27 -11.27 60.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.031 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -62.24 -21.21 64.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.137 174.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -125.74 155.08 73.11 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.216 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.46 ' HG2' ' HG2' ' A' ' 115' ' ' GLN . 8.7 Cg_endo -52.75 115.31 2.16 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.41 2.073 . . . . 0.0 112.219 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.512 HG13 HD11 ' A' ' 3' ' ' ILE . 97.3 t -61.26 -40.05 84.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.057 -178.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -52.81 -48.93 66.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.337 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.46 ' HG2' ' HG2' ' A' ' 112' ' ' PRO . 4.8 pp0? -73.8 -22.47 59.8 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.013 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -72.92 -47.29 46.94 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.517 ' HB2' HD13 ' A' ' 3' ' ' ILE . 35.6 tt0 -68.36 -54.97 13.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.342 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -61.76 -33.21 73.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.032 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -57.31 -57.0 22.04 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.17 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.408 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 66.9 m95 -70.1 -33.59 72.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.215 -0.194 . . . . 0.0 111.367 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -61.74 -46.44 89.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.739 0.304 . . . . 0.0 110.561 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.94 89.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.563 178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' GLY . 70.1 mt -62.35 -41.94 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.955 177.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 7' ' ' THR . 77.8 mt -67.05 -36.72 82.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.869 0.366 . . . . 0.0 111.266 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -70.44 -38.35 74.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.459 177.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.581 ' ND2' ' HA ' ' A' ' 29' ' ' TRP . 51.2 t30 -68.71 -39.15 80.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.917 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -60.52 -43.45 97.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.388 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.9 ttmm -51.85 -55.37 20.42 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.146 176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -61.43 -38.27 86.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.854 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 64.1 t60 -62.3 -39.51 93.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.186 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 52.2 t -82.3 -53.13 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.484 -178.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -68.49 -41.67 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -171.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 70.4 m -74.68 -6.38 48.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.297 0.57 . . . . 0.0 110.51 178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -96.49 -3.98 42.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.652 175.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 11' ' ' ALA . 94.3 mt -85.69 1.25 50.15 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.034 177.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -73.07 -166.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.773 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -71.51 116.29 11.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.482 -173.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -100.26 -61.48 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.102 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 17.5 m170 48.31 -98.81 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.819 0.699 . . . . 0.0 111.606 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -143.04 21.45 1.93 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.079 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.0 m-70 -74.26 151.39 39.9 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.787 -175.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.197 -0.906 . . . . 0.0 109.321 177.784 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 tpt . . . . . 0 N--CA 1.478 0.943 0 CA-C-O 120.816 0.341 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -112.95 144.38 42.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.63 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 69.1 mt -117.99 124.11 72.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 173.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.7 m -111.93 111.08 21.77 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.976 0.417 . . . . 0.0 110.795 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.4 m -116.63 140.19 40.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.226 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.09 168.12 11.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.514 0.674 . . . . 0.0 111.506 -178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.647 HG23 ' HD3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -165.03 116.75 1.17 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.789 -179.123 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.5 m -98.57 108.99 21.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.601 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 128' ' ' LYS . 15.1 t -90.95 138.79 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.642 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.29 11.99 1.69 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.838 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -104.17 149.36 37.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.561 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.6 155.06 55.57 Favored 'Trans proline' 0 C--O 1.238 0.477 0 C-N-CA 122.581 2.187 . . . . 0.0 111.78 175.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 ' HA ' HG21 ' A' ' 99' ' ' VAL . 7.1 p -62.1 -26.75 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.893 -172.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.49 -42.99 99.88 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.153 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -71.0 -41.65 70.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 110.417 179.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.83 -47.51 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.721 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 71.8 t-105 -57.2 -48.92 77.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.036 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 64.4 mtt85 -64.14 -46.83 82.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.322 -177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.24 -17.89 62.48 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -175.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -92.3 -25.29 18.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.78 -178.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 20.6 p -100.44 -20.87 15.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.383 . . . . 0.0 112.033 -176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 26' ' ' ILE . 32.7 m -85.02 114.72 57.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.947 -178.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.507 ' HA ' ' HB ' ' A' ' 26' ' ' ILE . 18.9 Cg_endo -59.39 -24.21 73.63 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.078 2.519 . . . . 0.0 112.49 -177.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.84 -44.21 90.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.212 178.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -81.95 -35.21 29.28 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.57 177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' HB ' ' HA ' ' A' ' 23' ' ' PRO . 64.2 mt -54.23 -44.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.294 -179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -61.59 -14.56 31.32 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 111.755 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -95.54 -41.29 9.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.951 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CZ2' HG12 ' A' ' 26' ' ' ILE . 45.6 p-90 -102.7 -12.26 17.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -175.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -83.35 83.09 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.843 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -167.12 108.55 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.317 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.0 -42.9 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 110.312 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.8 m -98.14 145.86 26.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.173 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -66.54 -26.9 67.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.816 0.341 . . . . 0.0 111.173 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' OD2' ' HB1' ' A' ' 57' ' ' ALA . 33.4 t70 -83.16 -20.64 34.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.256 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -97.22 151.13 20.14 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.743 -176.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -160.26 161.08 33.33 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.244 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.466 HG21 ' HB2' ' A' ' 41' ' ' ALA . 13.7 m -85.67 110.35 19.23 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.133 0.492 . . . . 0.0 109.752 174.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -83.11 -35.11 25.89 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.642 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -143.98 130.02 19.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.198 177.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' HG21 ' A' ' 38' ' ' THR . . . -134.55 110.13 9.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.906 0.384 . . . . 0.0 111.117 -175.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.1 m -116.49 113.56 22.97 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.824 177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 79.9 t -114.37 107.66 23.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.953 0.406 . . . . 0.0 110.573 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HB3' ' O ' ' A' ' 50' ' ' ALA . 20.9 t70 -94.98 90.59 6.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.37 0.605 . . . . 0.0 109.725 177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.6 tp -78.42 98.41 6.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.575 -173.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -170.4 156.44 5.59 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 174.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -74.22 112.62 10.56 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.02 -6.9 40.62 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -172.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -84.47 -178.61 51.39 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 121.102 -0.571 . . . . 0.0 111.858 179.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' ASP . . . -142.53 148.63 37.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.1 0.476 . . . . 0.0 111.486 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -113.41 155.18 25.71 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 175.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.5 m -147.15 113.58 5.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 120.916 0.389 . . . . 0.0 110.31 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.4 m -121.74 115.29 22.42 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.467 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.45 ' HG3' ' HG3' ' A' ' 56' ' ' GLU . 17.9 tpp180 -82.74 112.84 19.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.32 179.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 85.9 mmm -104.14 114.64 29.03 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' HG3' ' A' ' 54' ' ' ARG . 62.6 mt-10 -124.8 159.89 29.97 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 120.859 0.362 . . . . 0.0 111.301 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.428 ' HB1' ' OD2' ' A' ' 35' ' ' ASP . . . -89.48 128.43 35.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.617 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -70.12 -48.5 57.3 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.47 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -109.72 -0.53 18.48 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.531 -175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -107.9 -148.79 14.26 Favored Glycine 0 N--CA 1.435 -1.395 0 C-N-CA 120.272 -0.966 . . . . 0.0 112.15 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -117.19 -30.56 5.59 Favored 'General case' 0 C--N 1.311 -1.082 0 CA-C-N 115.259 -0.47 . . . . 0.0 111.605 -174.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 91.5 mmm -69.39 151.31 46.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.501 0.667 . . . . 0.0 112.569 -169.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.412 ' HA2' ' HA ' ' A' ' 56' ' ' GLU . . . -175.33 138.4 4.25 Favored Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -152.54 156.68 39.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.283 0.541 . . . . 0.0 111.095 -178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -88.79 126.5 35.38 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.394 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -106.26 106.28 16.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -129.38 159.01 37.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.202 -175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.48 159.2 32.27 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.668 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.9 m -103.33 131.85 50.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.607 0.203 . . . . 0.0 110.61 -179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -75.81 114.9 14.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.1 p -86.89 -36.71 18.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.358 -177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 73' ' ' VAL . 5.3 tmtm? -150.58 124.05 9.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.473 ' N ' ' HD3' ' A' ' 72' ' ' LYS . 64.6 t -134.02 129.15 53.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.818 0.342 . . . . 0.0 110.905 -178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG13 ' HB3' ' A' ' 77' ' ' LYS . 3.3 p -141.15 134.02 30.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.18 174.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -54.45 131.5 42.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.357 -172.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' HB2' ' CG2' ' A' ' 13' ' ' VAL . 11.3 p30 48.03 25.48 0.8 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.075 1.35 . . . . 0.0 113.802 175.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.637 ' HB3' HG13 ' A' ' 74' ' ' VAL . 55.8 tttp -125.36 -64.9 1.05 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.36 -0.536 . . . . 0.0 111.372 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -157.11 140.22 15.42 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.193 0.52 . . . . 0.0 111.54 -177.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 65.2 mt -120.31 118.5 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.706 176.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -116.35 130.28 56.69 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.173 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.91 153.96 40.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 -179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -117.08 123.19 46.2 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.305 178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.8 p90 -118.65 108.71 15.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.25 0.547 . . . . 0.0 110.123 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.76 -119.09 8.03 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.813 -0.708 . . . . 0.0 111.356 -176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -101.48 -0.58 34.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.643 0.735 . . . . 0.0 109.892 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.7 mtm-85 -108.64 163.62 13.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.912 -177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.5 t -143.68 157.18 44.59 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.22 142.66 35.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.663 0.268 . . . . 0.0 111.204 -178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -118.26 112.54 20.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.877 177.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.6 t -104.7 112.87 40.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.213 179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -107.71 141.55 39.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.859 0.362 . . . . 0.0 110.923 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -112.39 103.95 12.08 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.88 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.8 mt -102.78 119.28 38.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.432 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -79.24 122.24 26.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.406 0.622 . . . . 0.0 111.927 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -106.77 160.21 27.13 Favored Pre-proline 0 C--N 1.315 -0.909 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.607 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.67 -12.1 32.19 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.272 1.981 . . . . 0.0 112.706 178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -106.44 -14.43 15.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.691 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.07 -159.73 32.22 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.911 -177.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.543 HG21 ' HA ' ' A' ' 13' ' ' VAL . 57.4 t -112.27 123.42 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.007 0.432 . . . . 0.0 111.226 -177.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.0 m -91.11 103.24 15.96 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.805 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 42.7 t -86.91 124.18 40.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.273 -0.421 . . . . 0.0 109.897 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtp180 -112.85 117.02 30.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.229 178.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.48 107.01 21.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.863 0.364 . . . . 0.0 110.314 177.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.6 t -111.18 109.01 18.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 175.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -125.18 153.05 43.67 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.002 0.43 . . . . 0.0 111.312 -175.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.9 t -72.98 117.37 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 171.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.57 147.17 28.76 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.592 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.521 ' HG3' ' H ' ' A' ' 111' ' ' TYR . 8.6 tp10 -63.27 125.6 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 173.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.3 p -79.26 -21.8 45.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.168 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -79.58 -21.78 44.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.206 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.521 ' H ' ' HG3' ' A' ' 108' ' ' GLU . 16.5 m-85 -100.63 151.17 37.51 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.494 179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 111' ' ' TYR . 15.4 Cg_exo -68.78 138.47 41.17 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.683 2.256 . . . . 0.0 112.037 -178.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.8 t -58.3 -39.02 72.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.407 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -53.62 -53.46 51.52 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.809 177.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.553 ' O ' ' HG3' ' A' ' 118' ' ' GLN . 34.2 tt0 -63.79 -42.09 97.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.354 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -68.84 -40.59 79.35 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.844 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -64.39 -43.67 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.603 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . 0.553 ' HG3' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -73.04 -29.87 63.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.738 0.304 . . . . 0.0 110.875 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -77.89 -50.83 6.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.262 -0.494 . . . . 0.0 112.985 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 41.8 m95 -67.19 -33.8 76.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.632 0.216 . . . . 0.0 110.896 -179.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -70.66 -33.22 70.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.62 -36.27 82.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.04 0.448 . . . . 0.0 110.327 176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 64.4 mt -69.03 -42.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.329 177.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.457 ' O ' ' HG2' ' A' ' 128' ' ' LYS . 35.6 mt -63.23 -36.88 85.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.848 0.356 . . . . 0.0 110.837 174.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.695 ' O ' ' HG2' ' A' ' 129' ' ' ARG . 91.4 m-20 -62.19 -56.56 17.53 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 174.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -54.42 -43.64 71.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.471 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.451 ' O ' HG23 ' A' ' 131' ' ' VAL . 74.9 t80 -54.19 -56.64 16.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.348 178.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.647 ' HD3' HG23 ' A' ' 7' ' ' THR . 22.1 pttm -71.01 -25.19 62.57 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.315 -177.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.695 ' HG2' ' O ' ' A' ' 125' ' ' ASN . 33.2 mmm-85 -64.11 -45.91 86.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 172.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -60.52 -37.09 80.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.047 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 59.4 t -80.14 -54.35 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -176.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -70.14 -30.91 68.2 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 -172.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.1 t -75.61 -13.08 60.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.986 0.422 . . . . 0.0 110.133 177.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 42.6 t60 -92.19 -24.44 19.06 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.578 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 11' ' ' ALA . 84.0 mt -69.34 109.49 4.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.422 178.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 47.21 -121.34 1.22 Allowed 'General case' 0 CA--C 1.537 0.477 0 O-C-N 123.768 0.667 . . . . 0.0 110.553 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 57.8 m80 58.47 24.61 12.03 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.841 0.353 . . . . 0.0 111.298 -178.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -117.17 94.38 4.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.971 -175.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 12.0 p80 -86.03 109.84 19.08 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 172.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -107.8 -16.23 14.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.869 -170.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 62.8 t-80 -145.47 80.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.762 0.315 . . . . 0.0 110.675 -177.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.577 -0.725 . . . . 0.0 110.538 178.518 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.61 0.243 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -107.22 110.29 22.3 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 175.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.403 HD11 HG13 ' A' ' 113' ' ' VAL . 61.8 mt -98.81 133.9 39.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.07 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -116.84 112.56 21.27 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.824 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.8 m -113.64 167.73 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.375 176.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -156.28 165.99 34.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.365 0.602 . . . . 0.0 111.848 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.541 ' CB ' ' HB3' ' A' ' 124' ' ' LEU . 0.9 OUTLIER -163.98 117.91 1.48 Allowed 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.167 -176.093 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 92.4 m -95.12 119.57 33.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.871 -178.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG12 ' H ' ' A' ' 11' ' ' ALA . 21.4 t -100.51 146.84 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.636 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -85.25 12.54 7.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.989 0.423 . . . . 0.0 111.461 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 135' ' ' LEU . . . -103.78 153.83 38.44 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.419 179.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -65.76 151.05 85.49 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.357 2.038 . . . . 0.0 111.262 177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.5 p -61.19 -25.55 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.101 -176.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -61.2 -35.0 90.18 Favored Glycine 0 CA--C 1.52 0.351 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.257 177.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.76 -39.66 18.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 122.599 -0.353 . . . . 0.0 110.463 177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -60.45 -46.96 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.869 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -56.89 -49.47 75.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.163 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 56.7 ttp85 -67.46 -44.22 79.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.165 -175.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.96 71.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.955 0.407 . . . . 0.0 110.984 -178.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.4 ' HA ' ' HZ2' ' A' ' 29' ' ' TRP . 28.2 t80 -79.55 -14.72 58.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.524 ' HB ' HD22 ' A' ' 45' ' ' LEU . 33.6 p -115.22 -9.2 12.28 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -175.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 26' ' ' ILE . 59.9 m -91.94 110.28 42.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 11.2 Cg_endo -53.74 -38.87 85.23 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.339 2.693 . . . . 0.0 113.238 -173.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.447 ' HA ' ' HE3' ' A' ' 27' ' ' LYS . 47.8 mt-10 -62.94 -34.77 78.18 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 13.1 t70 -83.66 -40.2 19.26 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.818 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 22' ' ' THR . 82.4 mt -51.48 -45.46 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.225 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.607 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 23' ' ' PRO . 10.7 mtmp? -56.52 -17.85 9.69 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -177.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' NE2' ' HA ' ' A' ' 25' ' ' ASP . 56.2 mt-30 -86.85 -19.49 28.88 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 -174.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.551 ' CE2' ' HA ' ' A' ' 26' ' ' ILE . 55.7 p-90 -129.91 -14.62 3.96 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 29.6 p-10 -77.42 85.0 3.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 122.152 0.977 . . . . 0.0 111.374 -176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -161.73 133.53 5.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.351 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.59 -22.02 38.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.474 0.654 . . . . 0.0 110.263 177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 p -157.03 160.05 38.59 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.241 -0.89 . . . . 0.0 108.909 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -75.24 -3.85 35.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.042 0.449 . . . . 0.0 110.404 -178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -67.64 -24.13 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.305 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -109.07 155.0 21.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 p80 -155.66 131.0 9.55 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.335 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 m -78.24 112.06 14.83 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.299 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -83.94 -37.08 22.76 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.015 0.436 . . . . 0.0 110.86 -178.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.81 127.37 26.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.588 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.68 116.19 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.918 0.389 . . . . 0.0 110.811 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 33.1 m -120.73 116.38 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.641 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.19 120.24 64.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.142 -174.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -106.19 90.54 3.39 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.524 HD22 ' HB ' ' A' ' 21' ' ' THR . 32.0 tp -81.4 101.86 10.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.409 -174.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -174.0 172.27 3.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.342 174.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -70.28 116.25 10.41 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.39 11.52 71.86 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.325 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.98 15.88 Favored Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 111.523 -0.631 . . . . 0.0 111.523 178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -113.15 155.37 25.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 111.534 -177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' A' ' 67' ' ' ALA . 40.3 p90 -127.19 143.76 51.19 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.935 176.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 m -124.37 125.91 45.11 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.31 178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 p -128.44 115.71 18.61 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.342 -179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -83.32 106.59 15.21 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.993 0.425 . . . . 0.0 110.506 -178.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 11.9 mmt -92.69 116.27 28.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.949 178.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -116.66 132.59 56.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.004 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -81.99 136.04 35.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -61.56 -21.41 64.26 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -173.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -82.23 -15.76 51.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.546 0.212 . . . . 0.0 111.295 177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.55 16.32 80.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.603 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.8 t -80.22 -45.11 18.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.258 0.551 . . . . 0.0 110.162 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 77.5 mtm -122.72 155.67 35.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.809 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -177.8 138.52 3.83 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -161.44 154.24 20.64 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.924 0.393 . . . . 0.0 110.419 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -96.69 110.12 22.63 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.241 0.543 . . . . 0.0 109.806 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -79.3 110.55 14.68 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 51' ' ' PHE . . . -117.91 129.84 55.87 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.802 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.86 145.77 16.95 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.802 -0.713 . . . . 0.0 111.639 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.6 m -105.65 124.9 50.31 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.595 0.236 . . . . 0.0 110.488 179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -70.36 112.84 6.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.998 178.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 p -83.98 -38.64 20.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.663 -177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -145.38 118.37 8.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.132 0.491 . . . . 0.0 110.572 179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.9 t -118.04 120.44 64.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.595 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG13 ' HB2' ' A' ' 77' ' ' LYS . 3.3 p -132.82 124.5 50.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.721 175.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -63.24 131.59 48.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.597 -0.729 . . . . 0.0 112.147 -170.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 63.78 16.29 9.66 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.142 174.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.657 ' HB2' HG13 ' A' ' 74' ' ' VAL . 31.8 mmtp -119.82 -71.75 0.72 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.741 0.305 . . . . 0.0 111.049 178.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.417 ' HB3' ' HG2' ' A' ' 91' ' ' GLU . 10.1 ptp85 -158.29 151.41 22.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.24 0.543 . . . . 0.0 111.352 -178.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 76.9 mt -118.1 111.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.282 174.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -108.38 123.28 48.6 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -137.66 144.36 41.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 110.5 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 87' ' ' THR . . . -109.81 122.62 47.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.226 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -107.88 110.35 22.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.336 0.589 . . . . 0.0 110.001 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.1 -104.49 1.5 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.817 -176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -114.1 -13.46 12.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.653 0.263 . . . . 0.0 111.078 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.3 mtm-85 -119.6 142.74 48.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 111.054 -174.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 82' ' ' ALA . 9.1 t -109.81 162.38 14.53 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.287 0.565 . . . . 0.0 112.102 -172.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.06 131.8 35.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.635 174.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -114.02 111.99 22.54 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.764 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.54 HG22 HG13 ' A' ' 103' ' ' VAL . 59.2 t -102.61 115.77 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.142 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' HG2' ' HB3' ' A' ' 78' ' ' ARG . 42.6 mt-10 -111.08 137.7 48.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.002 0.429 . . . . 0.0 111.358 -177.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -102.79 108.23 19.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.635 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.31 110.6 22.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.761 -177.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -71.04 111.41 6.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.528 0.68 . . . . 0.0 110.733 178.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.97 168.32 8.4 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.96 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -62.74 -34.57 72.85 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.141 1.894 . . . . 0.0 111.844 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -87.94 -5.24 58.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 112.286 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 151.97 -135.8 5.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.465 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 87.1 t -126.89 118.33 50.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.024 0.44 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 8' ' ' THR . 34.8 m -91.73 106.64 18.63 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.512 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 40.1 t -86.51 105.66 15.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.753 178.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 40.2 ttm180 -104.13 116.93 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.024 0.44 . . . . 0.0 110.56 -177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.54 HG13 HG22 ' A' ' 90' ' ' VAL . 60.3 t -103.33 108.04 23.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.791 -177.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 p -99.46 104.61 16.46 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.566 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -122.62 154.28 38.2 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.802 0.334 . . . . 0.0 111.374 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 66.6 t -85.37 122.34 38.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.794 174.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -85.6 146.75 26.73 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.708 -177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.02 119.34 30.29 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 70.6 p -69.83 -7.38 39.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.381 0.61 . . . . 0.0 110.615 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -87.19 0.09 55.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.706 -176.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -141.46 160.07 58.31 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 179.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.09 127.85 26.71 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.903 2.402 . . . . 0.0 112.281 177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.403 HG13 HD11 ' A' ' 3' ' ' ILE . 63.1 t -62.52 -52.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.106 -174.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.406 ' HG3' ' NE2' ' A' ' 115' ' ' GLN . 8.9 pt-20 -63.69 -31.94 73.27 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 -174.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.406 ' NE2' ' HG3' ' A' ' 114' ' ' GLU . 1.6 mp0 -65.78 -31.48 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.726 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.431 ' O ' ' HD1' ' A' ' 120' ' ' TRP . 51.2 mt-30 -79.78 -47.56 15.02 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -54.36 -55.09 32.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.966 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -73.12 -25.74 60.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.525 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.425 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -65.16 -55.47 21.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.103 -0.57 . . . . 0.0 112.148 178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.431 ' HD1' ' O ' ' A' ' 116' ' ' GLN . 87.8 m95 -63.25 -36.87 85.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.361 . . . . 0.0 110.58 178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -63.91 -39.56 94.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.77 88.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.913 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 119' ' ' GLY . 72.3 mt -60.95 -44.74 98.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 7' ' ' THR . 42.5 mt -63.54 -45.31 91.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.456 177.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.41 -39.91 89.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.37 179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -69.99 -42.95 72.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.164 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.438 ' O ' HG23 ' A' ' 131' ' ' VAL . 77.4 t80 -58.28 -47.34 83.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.316 176.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -52.25 -59.14 4.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.548 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -61.52 -38.4 87.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.54 -0.754 . . . . 0.0 110.847 -178.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -57.55 -51.8 67.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.927 176.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.582 ' O ' ' HG ' ' A' ' 135' ' ' LEU . 66.2 t -67.9 -45.55 83.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.961 -177.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -61.14 -38.84 87.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.321 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 38.3 m -73.02 -36.47 66.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.866 0.365 . . . . 0.0 110.63 177.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -66.59 -30.31 70.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.605 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 11' ' ' ALA . 96.8 mt -56.15 143.41 33.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.24 175.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -76.35 22.05 0.17 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -176.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 46.3 m170 -86.9 -80.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 29.16 79.46 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.845 0 O-C-N 124.43 1.082 . . . . 0.0 112.9 179.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -74.17 93.67 2.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.553 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -132.23 107.56 8.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -93.13 -66.09 0.95 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 28.9 p-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.077 171.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 121.051 0.453 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -104.8 130.8 52.83 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.063 177.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.522 HD11 HG13 ' A' ' 113' ' ' VAL . 57.0 mt -109.27 128.55 65.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 177.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.7 m -118.24 111.07 18.32 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.926 0.393 . . . . 0.0 110.152 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 m -121.04 134.82 63.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.675 177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HB3' ' HG3' ' A' ' 102' ' ' ARG . 0.0 OUTLIER -134.53 164.65 26.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.148 0.499 . . . . 0.0 111.773 -176.156 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.0 t -156.33 130.57 8.68 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.362 176.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 46.5 m -96.17 115.01 26.76 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.205 0.526 . . . . 0.0 111.041 -177.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG12 ' H ' ' A' ' 11' ' ' ALA . 8.4 t -90.21 135.31 26.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.55 -3.53 28.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.387 . . . . 0.0 111.543 -177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -91.46 152.81 43.98 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.601 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.71 161.65 37.98 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.459 2.106 . . . . 0.0 112.117 177.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.2 p -68.3 -23.16 28.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.241 -174.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.9 -29.29 67.42 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.055 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.532 ' HD2' ' HB1' ' A' ' 11' ' ' ALA . 67.1 mttm -85.48 -51.44 6.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.986 0.422 . . . . 0.0 110.125 175.292 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.1 t -57.61 -47.81 84.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.418 -0.81 . . . . 0.0 112.049 -175.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.45 ' CZ2' ' HA ' ' A' ' 75' ' ' GLU . 57.8 t-105 -58.47 -50.15 74.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.716 -175.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -81.36 -22.85 38.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.302 0.482 . . . . 0.0 112.302 -172.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.95 -29.13 61.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 0.0 110.328 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -83.81 -16.11 45.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.363 -0.835 . . . . 0.0 111.225 -177.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 16.0 p -111.56 -23.22 10.82 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.499 ' O ' HG13 ' A' ' 26' ' ' ILE . 46.0 m -78.48 112.62 27.74 Favored Pre-proline 0 C--N 1.328 -0.327 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.751 -178.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -56.9 -34.28 96.77 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.219 2.612 . . . . 0.0 112.799 -175.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.525 ' HA ' ' HE2' ' A' ' 27' ' ' LYS . 0.6 OUTLIER -61.9 -33.78 74.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.163 178.072 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -91.92 -30.34 16.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.102 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 22' ' ' THR . 70.2 mt -56.04 -39.67 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.129 174.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 24' ' ' GLU . 54.8 mtmt -62.18 -8.09 5.1 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.952 179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -94.17 -49.62 5.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.071 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 56.8 p-90 -100.78 -8.77 22.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -172.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.448 ' HB3' ' OG1' ' A' ' 38' ' ' THR . 44.6 t30 -71.39 89.04 0.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.964 0.411 . . . . 0.0 110.369 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB1' ' O ' ' A' ' 33' ' ' SER . . . -171.9 118.16 0.41 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.522 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.85 -23.17 63.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.704 0.764 . . . . 0.0 109.523 174.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.448 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 23.6 m -146.5 152.88 39.71 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.088 -1.078 . . . . 0.0 108.088 173.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -4.2 29.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.231 0.539 . . . . 0.0 110.428 -176.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 12.4 m-20 -78.81 -10.42 59.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.072 174.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.0 m95 -102.54 147.86 26.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.446 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.3 p80 -140.22 135.52 32.45 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.859 179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.448 ' OG1' ' HB3' ' A' ' 30' ' ' ASN . 19.6 m -73.65 111.85 9.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 174.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 37' ' ' HIS . 0.2 OUTLIER -83.92 -41.74 17.06 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.632 -172.399 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' H ' ' HB2' ' A' ' 54' ' ' ARG . . . -151.97 142.43 22.6 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 177.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.44 122.18 11.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.036 0.446 . . . . 0.0 111.602 -177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 28.0 m -122.97 115.58 22.14 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 86.0 t -128.44 115.71 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 -175.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -105.4 108.86 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.926 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 44.6 tp -91.62 101.8 14.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.427 -173.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -169.64 165.7 10.08 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' HG2' ' H ' ' A' ' 73' ' ' VAL . 48.8 mt-10 -66.44 103.01 0.95 Allowed 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.62 9.23 33.51 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -175.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -82.18 176.47 53.8 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.117 -0.563 . . . . 0.0 111.864 177.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -143.35 155.37 44.42 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.101 0.45 . . . . 0.0 110.773 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 55.7 p90 -131.3 155.04 47.87 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 t -149.47 113.16 5.05 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.7 t -127.94 120.01 26.73 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.097 0.475 . . . . 0.0 111.505 -173.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.628 ' HD2' ' HB2' ' A' ' 65' ' ' ASP . 49.2 mmm-85 -82.87 118.19 23.26 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.434 176.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 15.7 ptp -119.77 123.01 42.67 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -123.25 152.96 40.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.46 -178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -86.34 115.1 23.66 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 169.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.497 ' HG2' ' O ' ' A' ' 35' ' ' ASP . 18.6 ptpt -62.68 -21.54 65.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -170.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -118.23 -18.55 9.26 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -100.14 -148.22 22.25 Favored Glycine 0 N--CA 1.437 -1.292 0 C-N-CA 120.219 -0.991 . . . . 0.0 112.249 -174.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -115.21 -8.84 12.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.826 -175.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 88.5 mtp -84.32 147.06 27.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.276 -173.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.69 137.43 2.2 Favored Glycine 0 N--CA 1.444 -0.825 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.127 178.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -161.37 177.44 10.13 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.737 0.269 . . . . 0.0 110.577 -177.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' A' ' 54' ' ' ARG . 16.5 t70 -107.69 118.75 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.173 177.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -92.3 109.09 20.46 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -118.04 151.93 36.53 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.763 -177.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.22 167.82 39.56 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.654 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 23.7 m -115.25 128.7 56.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.602 0.239 . . . . 0.0 110.71 -177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -75.33 102.78 5.22 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.425 ' H ' ' HA ' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -83.29 -41.31 18.44 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.742 -172.516 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -146.02 115.59 7.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.943 0.401 . . . . 0.0 110.222 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.526 HG22 HG23 ' A' ' 79' ' ' ILE . 57.7 t -124.79 120.9 59.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.754 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.548 HG13 ' HB2' ' A' ' 77' ' ' LYS . 4.5 p -125.96 127.71 71.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 174.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.45 ' HA ' ' CZ2' ' A' ' 17' ' ' TRP . 43.1 tt0 -57.62 134.99 56.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.688 -0.687 . . . . 0.0 112.311 -171.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 50.79 22.5 1.16 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.945 1.298 . . . . 0.0 113.609 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.548 ' HB2' HG13 ' A' ' 74' ' ' VAL . 99.2 mttt -124.49 -68.69 0.84 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.164 178.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.401 ' H ' HG13 ' A' ' 74' ' ' VAL . 18.0 ptt180 -158.49 153.52 25.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.194 0.521 . . . . 0.0 112.137 176.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.526 HG23 HG22 ' A' ' 73' ' ' VAL . 48.6 mt -122.46 112.99 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.535 175.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -108.89 110.53 21.88 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.425 ' HA ' ' H ' ' A' ' 71' ' ' THR . 42.6 p90 -132.83 143.18 49.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.23 0.538 . . . . 0.0 111.602 -174.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -104.24 126.51 51.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.263 -179.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -124.83 111.1 15.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.346 0.593 . . . . 0.0 110.16 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.16 -112.88 5.36 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.972 -176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -101.04 -7.25 23.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.97 0.414 . . . . 0.0 110.528 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 -110.48 167.74 9.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.264 -173.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.441 ' H ' HG12 ' A' ' 106' ' ' VAL . 9.3 t -141.66 144.67 34.25 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.95 129.43 43.81 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.55 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' HG2' ' OE2' ' A' ' 91' ' ' GLU . 27.6 ttpp -113.24 111.49 22.13 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.689 179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.0 t -99.71 125.31 53.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.349 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.448 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 2.6 mp0 -104.78 135.39 46.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.342 179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -105.01 101.96 11.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 171.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.58 ' HB2' ' HB ' ' A' ' 100' ' ' THR . 75.6 mt -93.53 111.22 22.84 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 -174.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.23 106.12 4.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.556 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.455 ' HB1' ' HD2' ' A' ' 96' ' ' PRO . . . -107.6 162.1 20.92 Favored Pre-proline 0 C--N 1.319 -0.738 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.158 179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD2' ' HB1' ' A' ' 95' ' ' ALA . 38.1 Cg_endo -67.46 -16.76 48.21 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.153 1.902 . . . . 0.0 112.409 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -106.61 -1.17 23.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.532 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 149.5 -145.83 14.47 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.464 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 84.0 t -128.28 121.09 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.038 0.447 . . . . 0.0 110.694 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.58 ' HB ' ' HB2' ' A' ' 93' ' ' LEU . 20.7 m -89.82 113.86 25.5 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.786 178.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 6' ' ' GLU . 40.7 t -82.9 105.36 12.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 174.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.536 ' HG3' ' HB3' ' A' ' 6' ' ' GLU . 47.7 ttt180 -110.3 107.34 17.04 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.351 -173.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.9 t -98.82 111.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 120.966 0.412 . . . . 0.0 110.518 -175.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.7 m -109.55 104.8 13.9 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.431 178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -127.94 158.84 36.75 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.841 0.353 . . . . 0.0 111.304 -175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.441 HG12 ' H ' ' A' ' 87' ' ' THR . 7.4 p -90.72 125.32 43.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.76 136.5 49.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.092 -179.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -70.92 127.06 31.31 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.444 -179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.8 p -73.05 -6.74 47.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.986 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.45 -20.29 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.265 178.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -112.63 157.97 38.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.916 -1.038 . . . . 0.0 108.867 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.67 116.99 3.62 Favored 'Trans proline' 0 C--O 1.236 0.376 0 C-N-CA 122.37 2.046 . . . . 0.0 112.193 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.522 HG13 HD11 ' A' ' 3' ' ' ILE . 95.6 t -59.71 -42.77 89.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.816 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -57.6 -43.41 84.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.498 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -65.48 -43.03 91.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.09 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -64.85 -40.8 95.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.3 178.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.29 -54.57 45.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.972 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -60.77 -37.31 81.43 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.456 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -55.3 -58.16 15.15 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.227 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 92.4 m95 -67.62 -38.68 84.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.739 0.304 . . . . 0.0 111.253 -179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -62.88 -41.64 99.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -64.71 -40.71 95.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.679 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.61 -39.08 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.242 177.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 77.1 mt -63.44 -40.63 97.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.932 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 128' ' ' LYS . 0.9 OUTLIER -63.19 -45.97 89.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.495 177.239 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -61.75 -44.94 95.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.898 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 131' ' ' VAL . 57.3 t80 -60.38 -52.27 65.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.963 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -61.9 -38.83 89.83 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 121.01 -0.276 . . . . 0.0 110.906 -175.144 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -68.13 -37.78 81.47 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 0.0 110.12 177.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -58.64 -34.07 70.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.921 177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 127' ' ' PHE . 47.4 t -80.84 -45.36 21.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.083 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 128' ' ' LYS . 58.6 mt-10 -66.29 -29.93 70.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.801 0.334 . . . . 0.0 111.295 -178.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.4 p -75.92 -8.49 57.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.83 0.348 . . . . 0.0 111.032 178.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -110.31 13.92 22.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.019 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.553 HD21 ' HB2' ' A' ' 11' ' ' ALA . 97.2 mt -71.37 175.85 5.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 136' ' ' GLU . 8.0 pt-20 -69.02 80.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.833 0.825 . . . . 0.0 111.938 -175.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -90.77 125.83 35.82 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.3 m80 -94.07 24.36 4.36 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.773 -168.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 37.8 m80 71.05 111.37 0.06 Allowed 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.163 -0.926 . . . . 0.0 111.839 177.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -69.16 126.63 30.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 171.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -81.2 68.95 7.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.192 0.52 . . . . 0.0 110.462 -174.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.405 176.95 . . . . . . . . 0 0 . 1 stop_ save_