data_1pul_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 1pul _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 ' 19' ' ' TRP . . . . . 0.548 ' CZ2' ' HA ' ' A' ' 113' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.761 0.791 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 t70 -68.88 159.27 32.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -45.0 -51.47 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.4 0.619 . . . . 0.0 111.276 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.09 -39.67 60.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.701 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB3' ' N ' ' A' ' 20' ' ' ASP . 17.4 t70 -58.0 -39.34 78.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.914 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 20' ' ' ASP . 84.5 t -52.83 -45.48 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.095 0.474 . . . . 0.0 110.43 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -68.24 -41.14 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.278 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -58.26 -54.35 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.451 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -65.15 -38.3 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.659 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' HZ2' HD11 ' A' ' 90' ' ' LEU . 4.2 m0 -67.12 -53.82 27.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 111.021 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.83 -43.08 76.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.291 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.51 9.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' A' ' 83' ' ' PHE . 53.9 m-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.678 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.85 154.75 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.943 0.777 . . . . 0.0 111.269 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.41 -36.5 38.08 Favored Glycine 0 C--O 1.226 -0.403 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.101 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 31.4 ttpt -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.137 0.494 . . . . 0.0 110.821 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.61 -36.57 57.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.222 -175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -70.21 -40.21 74.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.647 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.334 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -45.19 60.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.792 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -53.77 -35.58 61.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.542 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.817 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.1 mm? -79.67 -49.21 12.45 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 83.8 mttt -70.52 -33.99 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.26 -26.36 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.324 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HB1' HD23 ' A' ' 116' ' ' LEU . . . -72.29 -30.73 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.91 4.48 58.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.314 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.516 HG12 HG11 ' A' ' 93' ' ' VAL . 38.9 t -83.51 -50.74 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.296 0.57 . . . . 0.0 109.927 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.817 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 7.3 tt -107.12 92.4 4.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.06 -33.69 50.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.667 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 8.8 t-20 60.76 28.49 18.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 122.28 1.038 . . . . 0.0 109.389 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -122.98 -48.36 2.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.299 -174.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.32 -19.55 6.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.5 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -64.8 164.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.471 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.9 p -74.84 152.41 38.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.44 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.9 -22.84 40.71 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 172.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -61.43 -58.88 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.847 -0.676 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -46.66 73.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.3 p -67.07 -51.34 55.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.089 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.7 86.5 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.713 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.69 -30.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.521 0.201 . . . . 0.0 110.61 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -56.62 -57.91 10.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.513 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.49 -43.92 93.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.019 0.438 . . . . 0.0 110.937 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -59.91 -27.06 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.441 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 73' ' ' LYS . 10.8 tppt? -93.9 -47.69 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.567 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.75 HG11 ' HB ' ' A' ' 89' ' ' VAL . 34.0 m -67.2 -58.71 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.505 ' N ' HG21 ' A' ' 74' ' ' VAL . 40.5 p -88.95 -54.91 3.91 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.74 -0.6 . . . . 0.0 111.056 -175.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -172.725 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.558 HG21 ' OE2' ' A' ' 85' ' ' GLU . 14.2 t . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 28' ' ' TRP . 89.6 t80 -44.1 -61.05 1.61 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 88' ' ' LYS . 16.0 t0 -58.68 -52.65 64.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.391 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.558 ' OE2' HG21 ' A' ' 82' ' ' THR . 1.9 mp0 -55.62 -37.5 68.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.5 m -68.06 -42.58 80.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.257 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -71.99 -27.15 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.519 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HE2' ' OD2' ' A' ' 84' ' ' ASP . 68.5 mttm -62.39 -56.37 18.93 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.75 ' HB ' HG11 ' A' ' 74' ' ' VAL . 7.1 p -64.54 -41.18 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.351 -174.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.573 HD11 ' HZ2' ' A' ' 28' ' ' TRP . 34.9 mt -60.63 -35.76 76.97 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.911 0.386 . . . . 0.0 110.303 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.94 -44.34 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -62.2 -45.72 92.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.679 0.276 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.516 HG11 HG12 ' A' ' 56' ' ' VAL . 61.1 t -63.97 -44.42 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.895 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.5 96.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.677 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 99' ' ' ARG . 43.6 tt0 -61.77 -36.3 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.268 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 8.9 t70 -36.89 -64.88 0.32 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.005 0.815 . . . . 0.0 112.513 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.427 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.6 mtm180 -95.25 -29.3 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.4 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.255 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.874 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -73.63 -25.62 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.665 -174.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 78.6 mt-30 -64.84 -47.93 76.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 111.259 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -97.3 -55.36 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.721 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 69.7 tttt -90.92 -47.29 7.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.673 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.874 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 54.6 mtpt 105.28 -52.27 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 125.755 1.622 . . . . 0.0 113.774 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.43 120.82 8.68 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.831 1.688 . . . . 0.0 112.596 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -40.08 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.197 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.67 HE22 HD21 ' A' ' 109' ' ' LEU . 28.5 tp60 -54.81 -32.52 60.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.327 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.421 ' CG ' ' HZ3' ' A' ' 102' ' ' LYS . 16.5 t70 -57.93 -48.39 80.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.9 tp10 -75.5 -31.23 60.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.618 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.67 HD21 HE22 ' A' ' 106' ' ' GLN . 22.0 tp -61.31 -48.36 81.73 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.833 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.25 -39.76 79.99 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB1' ' HE3' ' A' ' 115' ' ' LYS . . . -60.36 -52.08 66.78 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.496 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 108' ' ' GLU . 95.0 mt -51.53 -53.11 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.046 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.548 ' HA ' ' CZ2' ' A' ' 19' ' ' TRP . 3.7 m -59.65 -42.2 92.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.506 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.93 -40.83 78.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.261 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.521 ' HE3' ' HB1' ' A' ' 111' ' ' ALA . 87.7 mttt -61.27 -57.52 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.877 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.572 ' HA ' ' HB3' ' A' ' 119' ' ' LEU . 95.1 mt -66.72 -16.26 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.039 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.84 83.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.966 0.412 . . . . 0.0 110.587 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -103.65 -17.21 15.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.393 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.572 ' HB3' ' HA ' ' A' ' 116' ' ' LEU . 15.5 tp -85.08 17.39 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.417 178.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.462 ' CD2' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 112.231 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 24' ' ' VAL . 12.7 t70 -79.9 151.65 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.1 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.625 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 26.4 t70 -45.48 -52.86 9.67 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.616 0.572 . . . . 0.0 111.846 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.2 80.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.469 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.12 -39.37 94.5 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.06 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 20' ' ' ASP . 82.7 t -51.34 -55.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -64.03 -40.79 97.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.374 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -68.35 -41.03 81.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -53.4 -46.64 69.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.607 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -62.81 -46.59 87.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.25 -44.28 88.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.84 75.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.864 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 111.038 -178.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.5 tpt . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 p -70.2 123.49 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.607 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.3 18.67 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.592 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -61.54 -39.77 92.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.053 0.454 . . . . 0.0 111.062 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.33 -33.59 74.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.695 ' HE2' HG13 ' A' ' 89' ' ' VAL . 14.7 t80 -71.91 -36.49 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.887 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.54 -41.27 72.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.171 0.51 . . . . 0.0 110.548 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -75.78 -45.41 36.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -55.18 -38.76 68.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.378 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.947 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 2.5 mm? -75.72 -36.16 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -72.41 -42.23 65.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.041 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.55 -45.37 83.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.778 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.12 67.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.721 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.93 17.5 35.0 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.356 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.48 -36.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 110.441 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.947 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 21.3 tp -86.65 97.1 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.74 -56.06 4.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.031 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 m-20 64.57 9.11 4.84 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -103.45 -49.11 3.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.46 -11.52 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.623 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 66.2 mt -103.91 120.98 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.265 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.502 ' O ' HG21 ' A' ' 67' ' ' THR . 12.5 p -115.67 -178.98 3.52 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.35 -29.73 23.73 Favored Glycine 0 C--N 1.332 0.351 0 CA-C-N 114.862 -1.063 . . . . 0.0 114.227 -175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -70.78 -34.05 71.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.546 0.673 . . . . 0.0 111.456 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.23 -57.28 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.152 0.501 . . . . 0.0 109.982 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.502 HG21 ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -63.34 -37.4 87.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.437 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.36 -46.74 89.75 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.836 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.49 -44.09 98.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.736 0.303 . . . . 0.0 110.495 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.549 ' O ' HG11 ' A' ' 74' ' ' VAL . . . -57.14 -50.59 72.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.328 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.562 ' HA ' HG22 ' A' ' 74' ' ' VAL . 75.9 t80 -58.99 -43.72 91.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.034 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 m -59.3 -30.85 68.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.447 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -83.21 -39.35 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.653 HG13 HG23 ' A' ' 89' ' ' VAL . 13.5 m -73.26 -24.7 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.623 HG23 HG21 ' A' ' 74' ' ' VAL . 25.5 p -130.02 -86.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -174.249 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.578 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 8.9 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.36 -34.72 69.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.053 0.388 . . . . 0.0 110.553 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.498 ' H ' HG21 ' A' ' 82' ' ' THR . 15.0 t70 -54.57 -49.81 69.46 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.949 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.661 ' O ' HG22 ' A' ' 89' ' ' VAL . 41.3 tt0 -44.5 -53.71 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.051 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.9 m -61.15 -52.22 65.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.003 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HB2' ' HZ3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -68.1 -29.52 68.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.61 0.243 . . . . 0.0 111.137 -176.085 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.543 ' CB ' HG12 ' A' ' 74' ' ' VAL . 29.6 mmtp -65.14 -46.33 81.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.669 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.695 HG13 ' HE2' ' A' ' 47' ' ' PHE . 29.7 t -57.95 -50.69 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.779 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.96 -36.45 72.6 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 95' ' ' GLU . . . -69.74 -40.16 76.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -75.15 -40.6 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 89' ' ' VAL . 21.2 m -64.4 -44.64 97.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.724 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.59 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.813 ' HG2' HG21 ' A' ' 105' ' ' ILE . 1.1 tm-20 -49.67 -61.07 2.33 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.713 0.633 . . . . 0.0 110.416 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.97 -41.4 82.84 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.685 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.789 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -66.27 -50.37 63.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . . . -69.8 -35.44 74.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 35.2 ttp180 -60.0 -38.77 83.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.532 ' NE2' HH22 ' A' ' 97' ' ' ARG . 49.4 mt-30 -86.5 -20.65 27.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 t -80.94 -76.19 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.431 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -100.99 -76.03 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 20.5 mtpt 173.04 -54.18 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 125.079 1.351 . . . . 0.0 109.204 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 55.7 Cg_endo -72.17 133.37 21.11 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.054 1.836 . . . . 0.0 112.309 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.813 HG21 ' HG2' ' A' ' 95' ' ' GLU . 19.4 pt -75.15 -38.3 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -52.12 -27.93 15.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.46 -56.12 26.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.744 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.645 ' HB2' ' HB3' ' A' ' 98' ' ' ALA . 7.3 tp10 -66.42 -32.08 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.13 -51.1 65.32 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.676 ' HA ' ' OG1' ' A' ' 113' ' ' THR . 28.7 t70 -69.04 -26.81 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.144 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.56 -44.46 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.103 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.81 -49.95 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.51 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.676 ' OG1' ' HA ' ' A' ' 110' ' ' ASP . 22.3 p -58.89 -42.36 89.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.671 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 26.9 tt0 -65.18 -45.34 85.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.643 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 31.4 ttpt -58.61 -46.9 86.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 19' ' ' TRP . 25.7 mt -59.04 -50.21 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.016 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . . . -57.35 -38.63 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.533 -176.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 22.4 ptmt -90.29 -12.68 37.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.633 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 14.2 tp -76.17 18.89 0.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -170.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.986 0.422 . . . . 0.0 110.369 -174.744 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.962 ' HZ2' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.588 0.708 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' HG21 ' A' ' 24' ' ' VAL . 27.2 t70 -96.57 166.24 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.115 -173.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -35.17 -61.9 0.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.2 1.0 . . . . 0.0 112.664 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.871 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 34.5 t70 -55.92 -39.22 71.32 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.784 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 20' ' ' ASP . 94.0 t -57.04 -59.51 3.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.36 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.92 -22.3 64.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.399 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 mtpm? -54.07 -44.65 71.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 175.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -72.51 -41.65 65.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.627 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 2.2 m95 -59.15 -40.41 85.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.547 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.28 -44.82 90.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.88 71.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 111.36 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.486 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -73.49 124.17 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.224 0.535 . . . . 0.0 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.85 -23.43 77.95 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.858 -175.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -68.87 -38.26 79.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.104 0.478 . . . . 0.0 109.9 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.76 -38.53 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 86' ' ' THR . 72.1 t80 -65.42 -41.12 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.79 -37.79 77.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.278 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -74.91 -45.52 42.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.854 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.413 ' HD1' HD21 ' A' ' 51' ' ' LEU . 72.3 t-105 -51.93 -32.3 32.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.282 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.9 mm? -92.57 -36.26 13.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.893 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 60.1 tttm -73.12 -44.66 59.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.718 0.294 . . . . 0.0 111.225 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.89 -33.41 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.389 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.81 68.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.075 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.31 -2.74 59.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.393 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.2 t -76.91 -44.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.383 0.611 . . . . 0.0 109.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -107.81 83.41 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.877 174.073 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.86 ' HB3' HG12 ' A' ' 62' ' ' ILE . 11.4 t70 -54.58 -40.7 69.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.828 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 t30 70.55 -6.28 1.24 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.039 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -110.68 -54.52 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.19 0.519 . . . . 0.0 110.13 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.15 19.69 20.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.446 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.86 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.5 mm -89.8 127.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.444 0.64 . . . . 0.0 110.345 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.43 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 3.1 m -61.28 144.51 53.74 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.649 -177.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.12 -25.21 61.86 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.658 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -55.9 -40.72 73.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.206 0.527 . . . . 0.0 110.71 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.43 ' SD ' ' HB ' ' A' ' 63' ' ' THR . 1.9 mpt? -85.35 -59.2 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.025 -178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -66.74 -44.38 81.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.593 -173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.72 -50.02 64.53 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.41 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.03 -40.29 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.595 0.197 . . . . 0.0 110.649 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.76 -56.5 19.79 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.977 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.58 ' HA ' HG22 ' A' ' 74' ' ' VAL . 44.4 m-85 -61.55 -44.03 97.78 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.26 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.6 m -57.35 -27.81 62.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.127 -0.358 . . . . 0.0 111.817 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HZ2' ' HE2' ' A' ' 92' ' ' PHE . 96.1 mttt -83.35 -29.29 28.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 71' ' ' PHE . 33.7 m -99.95 -39.83 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 t 174.24 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 108.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.994 177.784 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 11.4 t . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.434 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 69.2 t80 -62.95 -32.9 74.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.225 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.4 -44.06 68.4 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -59.14 -61.14 2.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.005 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.569 HG21 ' CE1' ' A' ' 47' ' ' PHE . 30.2 m -50.13 -48.72 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.744 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 83' ' ' PHE . 13.9 ptmm? -64.59 -36.44 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.706 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HB2' HG12 ' A' ' 74' ' ' VAL . 57.9 mtmt -74.25 -41.99 60.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.258 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 85' ' ' GLU . 31.0 t -58.76 -55.23 24.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.732 0.301 . . . . 0.0 110.565 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.627 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 36.4 mt -60.22 -44.95 94.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.355 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.44 77.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.7 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.419 ' HE2' ' HZ2' ' A' ' 73' ' ' LYS . 48.5 t80 -70.74 -51.72 25.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.637 0.256 . . . . 0.0 111.022 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.62 -45.67 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.756 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.15 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.611 ' HA ' HG13 ' A' ' 105' ' ' ILE . 36.8 tt0 -59.13 -68.43 0.27 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.586 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 2.2 t70 -64.91 -33.05 75.11 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.1 0.25 . . . . 0.0 111.433 -170.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -56.35 -50.74 70.65 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 108' ' ' GLU . . . -74.62 -43.62 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.382 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 96' ' ' ASP . 59.8 ttt180 -45.46 -49.46 13.44 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.99 0.916 . . . . 0.0 112.273 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -73.89 -40.55 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.864 0.364 . . . . 0.0 111.494 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -93.49 -60.08 1.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.557 ' C ' ' HD2' ' A' ' 104' ' ' PRO . 91.8 mttt -96.69 -41.41 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.94 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 51.2 mtpt 103.07 -64.31 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.993 1.717 . . . . 0.0 112.017 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.557 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 37.8 Cg_endo -66.72 108.16 1.4 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.673 1.582 . . . . 0.0 113.195 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.59 -40.52 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.694 178.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.91 -39.51 74.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.176 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.17 -40.04 90.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.834 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 10.6 tp10 -63.98 -44.56 92.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.8 -41.67 99.38 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.42 -40.48 94.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.28 94.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.76 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 108' ' ' GLU . 94.1 mt -59.12 -49.4 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.9 m -57.22 -48.57 78.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.558 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -38.93 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.678 0.275 . . . . 0.0 111.0 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.74 ' HB2' ' HZ1' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -59.7 -42.17 92.4 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.962 HD11 ' HZ2' ' A' ' 19' ' ' TRP . 46.0 mt -59.81 -38.41 81.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.97 84.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.453 0.644 . . . . 0.0 110.379 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.36 -16.9 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.925 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt -98.99 16.19 23.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.992 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.47 0.534 0 O-C-N 124.332 1.02 . . . . 0.0 112.671 178.81 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.485 ' CG ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.25 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.649 ' O ' HG21 ' A' ' 24' ' ' VAL . 1.6 m-20 -60.35 148.19 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.812 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -49.6 -47.1 49.76 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.744 0.783 . . . . 0.0 110.811 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -39.4 58.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.176 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 20' ' ' ASP . 30.9 t70 -60.13 -39.85 87.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.72 -175.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 20' ' ' ASP . 34.3 t -47.8 -59.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.489 0.493 . . . . 0.0 110.836 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 43.8 tptt -66.36 -44.71 82.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.675 -177.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.808 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 6.3 ttpm? -54.39 -42.99 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.187 0.518 . . . . 0.0 110.985 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' NH2' ' HB3' ' A' ' 19' ' ' TRP . 3.1 ttp180 -79.63 -47.33 15.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.593 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.79 -45.58 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.237 0.542 . . . . 0.0 111.032 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.8 t70 -64.73 -43.75 92.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.668 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.173 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' HB3' ' HB2' ' A' ' 83' ' ' PHE . 18.3 m-85 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.552 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 C--O 1.233 0.231 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -99.19 160.56 14.18 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.855 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -50.83 61.65 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.054 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -54.58 -33.98 61.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.977 0.388 . . . . 0.0 112.022 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.98 -29.02 61.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.633 0.254 . . . . 0.0 111.083 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' HE2' HG12 ' A' ' 89' ' ' VAL . 16.8 t80 -87.71 -39.58 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.229 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -23.48 65.87 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.284 0.564 . . . . 0.0 109.698 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -68.29 -50.04 56.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.515 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -61.84 -38.59 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.38 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.4 mm? -70.45 -42.14 71.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.562 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 12.3 tmtt? -73.75 -51.82 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.458 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -73.7 -22.23 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.459 -169.256 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.28 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.291 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.46 19.33 18.61 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.613 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.3 t -93.8 -46.11 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.748 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.638 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 4.9 tp -93.02 28.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.339 0.59 . . . . 0.0 110.446 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.16 69.87 0.15 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.676 0.75 . . . . 0.0 109.485 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.619 ' OD1' ' HG2' ' A' ' 60' ' ' LYS . 29.0 t-20 -103.23 -69.02 0.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.452 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.619 ' HG2' ' OD1' ' A' ' 59' ' ' ASN . 59.8 pttt 177.54 -48.73 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.518 0.675 . . . . 0.0 109.822 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.74 57.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.107 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.16 113.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.678 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.4 p -80.22 -178.58 6.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.242 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.17 -9.51 21.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.25 -59.9 2.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.912 -0.644 . . . . 0.0 110.572 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -60.53 -45.87 92.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -64.37 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.834 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.2 99.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.172 -0.537 . . . . 0.0 111.997 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -55.87 -48.61 75.26 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.473 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -56.5 -43.8 80.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.171 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.5 m -67.27 -32.32 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.462 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.21 -25.7 60.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.121 0.486 . . . . 0.0 110.751 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.127 HG12 ' HB3' ' A' ' 85' ' ' GLU . 73.0 t -89.78 -63.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.503 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.633 HG23 HG13 ' A' ' 74' ' ' VAL . 21.4 p -111.73 29.24 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 174.571 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 p . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.337 0.113 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 31' ' ' PHE . 19.2 p90 -58.01 -46.25 85.58 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.95 -37.46 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.684 . . . . 0.0 110.184 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 1.127 ' HB3' HG12 ' A' ' 74' ' ' VAL . 6.5 mp0 -66.51 -47.04 74.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.485 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.2 m -58.63 -41.37 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.19 0.519 . . . . 0.0 110.476 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.6 -43.32 93.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.408 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -64.22 -44.39 92.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.803 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 74' ' ' VAL . 20.1 t -58.58 -57.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.907 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.06 -34.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.94 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.411 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -72.11 -38.66 69.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.01 -44.47 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.17 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.527 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.728 ' HA ' HG21 ' A' ' 105' ' ' ILE . 1.3 tm-20 -49.92 -45.8 51.37 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.377 0.671 . . . . 0.0 111.677 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.31 -56.76 9.89 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.087 0.47 . . . . 0.0 110.582 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.2 ttt180 -70.16 -46.68 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.248 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.498 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -59.38 -45.57 91.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -60.77 -36.09 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -91.43 -10.45 40.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.67 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 m -100.45 -65.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.217 0.532 . . . . 0.0 110.56 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 28.3 mmtp -101.7 -76.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.492 0.663 . . . . 0.0 109.284 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.823 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 88.3 tttt 163.16 -54.89 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.703 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 3.9 Cg_exo -78.37 150.66 25.55 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.547 2.165 . . . . 0.0 111.6 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.728 HG21 ' HA ' ' A' ' 95' ' ' GLU . 2.7 pp -76.53 -38.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.578 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.56 -41.07 63.24 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.466 -175.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -57.22 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 111.605 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 37.3 mm-40 -77.5 -31.35 53.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.292 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.25 -40.82 94.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.73 -39.8 95.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.618 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.25 93.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.67 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.8 mt -58.78 -49.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.294 0.568 . . . . 0.0 110.762 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.9 m -59.32 -46.63 88.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.82 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -67.02 -40.83 87.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.73 -0.213 . . . . 0.0 111.118 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -58.93 -39.15 80.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.598 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 98.3 mt -71.84 -36.95 70.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.013 0.435 . . . . 0.0 110.848 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.18 87.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.502 0.668 . . . . 0.0 109.652 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 118' ' ' LYS . 8.0 tppt? -67.41 -19.07 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.973 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 25.7 tp -80.57 19.27 0.82 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 118' ' ' LYS . 49.1 mt-10 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.413 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.49 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.405 0.622 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.445 ' O ' HG11 ' A' ' 24' ' ' VAL . 64.3 m-20 -79.01 172.95 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.414 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -48.66 -60.32 2.81 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.755 0.66 . . . . 0.0 112.073 -176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.07 32.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.228 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.1 t70 -56.06 -45.02 79.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.295 -175.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 ' HB ' ' HB2' ' A' ' 19' ' ' TRP . 8.4 p -62.02 -46.19 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.373 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.82 -40.11 91.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -67.94 -42.48 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.938 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.2 mtt180 -68.63 -40.36 80.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.535 0.207 . . . . 0.0 111.137 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -66.39 -40.78 89.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.327 0.584 . . . . 0.0 109.793 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.43 -41.76 93.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.373 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.41 -40.95 8.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.534 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.406 178.072 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 55.0 tpp . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.6 p -101.61 143.54 31.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.723 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.5 -29.76 61.15 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.554 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.4 -58.14 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 0.0 110.763 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.07 -36.84 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -69.45 -41.09 76.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.728 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.02 -39.87 79.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.206 0.527 . . . . 0.0 110.986 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -78.05 -42.38 32.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.053 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.46 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 53.2 t-105 -51.86 -38.56 56.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.5 mm? -75.46 -37.53 60.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.621 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -56.14 -56.42 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -23.64 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.767 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.21 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.844 0.354 . . . . 0.0 110.373 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.1 0.68 57.16 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.113 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -82.4 -24.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.229 0.537 . . . . 0.0 110.274 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.845 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 15.7 tp -79.38 -165.93 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.049 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.845 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 24.7 t70 -63.66 82.15 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.276 1.036 . . . . 0.0 111.51 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.412 ' OD1' ' HG3' ' A' ' 60' ' ' LYS . 25.3 t-20 -70.41 -43.24 70.42 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.284 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 65.3 mttp -134.47 -78.71 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -177.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 69.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.731 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.469 HD11 HH11 ' A' ' 97' ' ' ARG . 9.1 mt -91.6 128.18 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.21 0.529 . . . . 0.0 110.026 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 67' ' ' THR . 0.7 OUTLIER -57.92 110.75 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' OG1' ' A' ' 67' ' ' THR . . . -63.46 -30.7 78.38 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.696 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 t -62.46 -36.44 82.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.798 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.43 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 67.5 mtt -84.39 -45.6 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 63' ' ' THR . 65.7 p -60.29 -36.29 77.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.562 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.42 78.9 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.315 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 73.0 mt -60.06 -51.68 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.54 75.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.242 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.6 -43.25 89.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.78 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 m -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 73.7 mmtt -74.8 -42.03 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.228 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.778 HG22 ' HA ' ' A' ' 85' ' ' GLU . 2.5 p -70.11 -57.94 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.853 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.684 HG21 HG23 ' A' ' 74' ' ' VAL . 10.9 t 177.02 115.55 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.35 0.595 . . . . 0.0 111.304 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.998 168.004 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.567 HG22 ' H ' ' A' ' 84' ' ' ASP . 11.1 t . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 110.801 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.605 ' HB3' ' HE3' ' A' ' 88' ' ' LYS . 14.4 m-20 -61.31 -28.13 68.98 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.956 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.778 ' HA ' HG22 ' A' ' 74' ' ' VAL . 6.9 tm-20 -41.75 -72.84 0.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.587 0.755 . . . . 0.0 112.026 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -59.92 -38.52 82.58 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.364 0.602 . . . . 0.0 111.17 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -59.41 -46.91 87.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.375 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.605 ' HE3' ' HB3' ' A' ' 84' ' ' ASP . 97.8 mttt -70.93 -47.67 57.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.634 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 85' ' ' GLU . 40.3 t -56.67 -52.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.5 mt -59.25 -41.66 89.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.888 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.9 54.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' A' ' 88' ' ' LYS . 44.5 m-85 -75.3 -42.42 54.71 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.538 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.85 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.799 ' HG3' HG21 ' A' ' 105' ' ' ILE . 37.9 tt0 -59.0 -60.12 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 66' ' ' MET . 3.3 m-20 -62.03 -38.94 90.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.024 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.469 HH11 HD11 ' A' ' 62' ' ' ILE . 2.2 mmm180 -55.17 -51.59 66.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.088 175.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 105' ' ' ILE . . . -72.31 -46.89 53.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.397 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.5 ttp-105 -54.16 -34.23 59.94 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.596 0.56 . . . . 0.0 111.177 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.11 -31.67 44.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.148 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 m -100.58 -75.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.72 -36.22 21.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.222 -176.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.549 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 63.4 mttp 101.9 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.227 1.811 . . . . 0.0 111.867 -173.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 27.2 Cg_exo -64.71 117.4 4.47 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.624 1.55 . . . . 0.0 111.674 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.811 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 1.5 pp -65.92 -38.92 83.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.977 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.02 -26.96 65.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' ' 102' ' ' LYS . 35.2 t70 -63.25 -35.83 81.63 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.0 0.187 . . . . 0.0 111.198 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.5 ' O ' HG13 ' A' ' 112' ' ' ILE . 15.6 mm-40 -70.74 -40.79 72.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.922 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.42 -39.91 95.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.01 -49.49 76.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.244 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.54 86.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.244 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 95.1 mt -58.87 -54.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.573 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -42.36 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.963 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.83 -44.81 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.566 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 13.3 mptt -61.99 -44.07 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.583 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 112' ' ' ILE . 84.7 mt -64.61 -41.93 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.79 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.228 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 120' ' ' GLU . 12.3 ptmm? -88.31 -12.4 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.16 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 17.4 tp -69.1 32.05 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.274 0.63 . . . . 0.0 112.325 -175.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.6 mp0 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.859 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.685 ' HZ2' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.741 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 8.5 t70 -142.89 166.13 25.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.85 -48.24 8.3 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.028 0.531 . . . . 0.0 111.733 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -40.25 16.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 110.701 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.741 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -55.91 -39.2 71.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.208 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 20' ' ' ASP . 97.2 t -54.72 -53.5 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.068 0.461 . . . . 0.0 110.819 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -64.42 -37.16 86.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.96 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.05 -50.28 73.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.096 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 69.2 mtt180 -59.58 -45.33 92.18 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.226 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -57.02 -40.79 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.57 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.43 -43.96 13.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.439 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -55.56 21.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.415 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.467 0.418 0 O-C-N 123.339 0.399 . . . . 0.0 111.988 -174.786 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -61.71 149.0 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.84 94.0 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.672 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 48' ' ' ASP . 32.1 ttpt -74.98 -20.18 59.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -71.79 -46.88 56.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 86.3 t80 -63.74 -44.48 93.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.046 174.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 10.9 t70 -55.05 -41.79 71.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.521 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.798 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 53.6 tttm -79.12 -48.07 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.396 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.489 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 20.3 t-105 -54.89 -34.06 62.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.358 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HB3' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -81.28 -36.93 29.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.992 -177.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.798 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 46.8 pttt -81.62 -33.22 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.353 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -42.43 94.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.35 78.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.683 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.6 24.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.459 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.15 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.214 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 5.8 tp -119.45 163.49 17.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.3 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.805 ' H ' HG13 ' A' ' 62' ' ' ILE . 8.9 t70 51.95 76.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.152 0.907 . . . . 0.0 111.227 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -164.65 70.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.39 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm 74.7 -59.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.86 0.864 . . . . 0.0 111.841 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 6.07 12.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.261 -174.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.805 HG13 ' H ' ' A' ' 58' ' ' ASP . 41.6 mm -95.35 101.17 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.567 0.698 . . . . 0.0 110.028 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -104.22 -152.51 0.46 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.793 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.12 -28.82 4.8 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 69' ' ' ILE . 5.8 t -77.29 -47.36 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.681 -0.305 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.2 mtp -61.33 -46.36 90.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.437 HG22 HG23 ' A' ' 62' ' ' ILE . 81.2 p -75.37 -39.3 59.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.846 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.62 -43.95 94.12 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.591 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.525 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 85.1 mt -58.55 -48.33 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.531 0.205 . . . . 0.0 110.575 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.427 ' O ' HG11 ' A' ' 74' ' ' VAL . . . -58.33 -51.15 71.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.088 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.571 ' O ' HG21 ' A' ' 74' ' ' VAL . 32.3 m-85 -60.08 -43.03 95.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.708 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 14.6 t -59.0 -37.87 77.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 74.9 mmtt -69.88 -36.13 75.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.697 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.948 HG13 ' HB ' ' A' ' 89' ' ' VAL . 5.0 m -76.1 -27.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.998 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.827 HG22 HG23 ' A' ' 74' ' ' VAL . 5.9 t -178.18 -46.45 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.708 ' HA2' ' HA ' ' A' ' 72' ' ' SER . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -174.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.544 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 13.4 p . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.716 0.293 . . . . 0.0 110.627 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' H ' ' HB ' ' A' ' 82' ' ' THR . 35.8 m-85 -93.6 -31.54 14.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.518 0.675 . . . . 0.0 110.076 161.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.92 -27.8 39.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.805 ' HB2' ' HB ' ' A' ' 74' ' ' VAL . 8.0 pm0 -55.47 -40.78 72.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.991 0.359 . . . . 0.0 110.325 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.69 ' HA ' HG11 ' A' ' 89' ' ' VAL . 3.3 m -67.6 -39.19 84.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.11 -44.57 83.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HB2' HG12 ' A' ' 74' ' ' VAL . 74.9 mmtt -66.92 -56.58 9.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.355 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.948 ' HB ' HG13 ' A' ' 74' ' ' VAL . 13.8 p -63.02 -39.0 83.53 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.454 -173.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -61.69 -39.65 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 178.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.61 82.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.877 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.39 -38.74 88.2 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 89' ' ' VAL . 80.2 t -57.58 -44.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.168 175.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.81 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HB2' HD11 ' A' ' 105' ' ' ILE . 7.7 tp10 -52.11 -40.76 61.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.297 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.537 ' OD2' ' HG3' ' A' ' 97' ' ' ARG . 9.4 t70 -46.14 -70.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.225 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.3 mtm-85 -76.26 -24.33 54.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.713 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.645 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -64.77 -51.14 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.401 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.7 ttt-85 -73.47 -40.43 64.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.223 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.02 -55.4 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 m -72.79 -58.21 3.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.533 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.72 -77.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.658 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER 160.53 -52.3 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 110.859 176.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.88 116.87 4.81 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.351 2.034 . . . . 0.0 112.786 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.57 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 5.4 tt -59.28 -40.93 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.499 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -44.23 77.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.907 -175.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.06 -54.41 43.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.84 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.645 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 13.7 mm-40 -70.43 -38.43 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.836 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -40.86 97.53 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.169 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.57 -41.74 86.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.252 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.98 78.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.782 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 108' ' ' GLU . 98.6 mt -58.3 -49.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.922 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -61.81 -42.29 98.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.623 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.66 -47.78 74.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.445 ' HD2' HD13 ' A' ' 119' ' ' LEU . 17.7 tppt? -56.29 -55.96 26.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.362 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.685 HD11 ' HZ2' ' A' ' 19' ' ' TRP . 97.1 mt -66.24 -32.12 73.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.785 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.58 89.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.05 -17.76 28.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.316 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.445 HD13 ' HD2' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -98.52 14.47 28.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.425 0.631 . . . . 0.0 110.261 -177.397 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.679 ' HB2' HG22 ' A' ' 24' ' ' VAL . 7.2 m0 . . . . . 0 N--CA 1.458 -0.069 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.655 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.3 t70 -91.66 155.4 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -53.54 11.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.321 0.582 . . . . 0.0 111.522 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -78.78 -39.97 34.45 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.053 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 12.6 t70 -53.32 -42.36 66.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.867 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 19' ' ' TRP . 87.9 t -54.17 -51.27 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.378 0.608 . . . . 0.0 110.312 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.39 -29.09 67.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.179 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 98.4 mttt -69.64 -44.18 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.353 175.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.4 mtt180 -59.73 -40.67 88.83 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.382 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -52.73 -47.48 67.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.522 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.94 -44.26 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.27 69.52 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.688 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 120.734 0.302 . . . . 0.0 111.107 -178.219 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.209 0.528 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -68.97 120.97 15.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.338 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.14 58.53 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.761 -0.654 . . . . 0.0 113.417 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 82.6 tttt -57.71 -59.09 5.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.014 0.435 . . . . 0.0 110.642 178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.87 -38.47 85.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.16 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CE2' HG11 ' A' ' 89' ' ' VAL . 63.4 t80 -60.55 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.27 -39.98 80.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 111.082 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 16.6 mmmt -75.96 -44.69 38.7 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -54.01 -42.47 69.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.479 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.1 mm? -71.84 -44.62 63.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.729 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.55 -43.73 68.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.61 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.86 -40.25 83.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.137 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.0 70.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.054 0.454 . . . . 0.0 110.93 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.7 28.09 13.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.833 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.35 -40.49 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.183 0.516 . . . . 0.0 110.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 6.8 tt -105.55 136.88 44.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.535 ' H ' HG13 ' A' ' 62' ' ' ILE . 47.6 t0 64.62 100.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.488 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -153.38 -48.96 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.972 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -171.04 -63.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.434 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 5.92 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.716 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.535 HG13 ' H ' ' A' ' 58' ' ' ASP . 47.6 mm -86.01 114.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.373 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.6 p -124.02 163.35 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.207 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -18.94 72.97 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.4 m -70.88 -56.82 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.02 -46.77 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 111.005 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.3 p -68.21 -38.17 81.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.13 -45.83 92.16 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.419 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.69 -44.88 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.552 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' O ' HG21 ' A' ' 74' ' ' VAL . . . -58.57 -54.34 48.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.728 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -59.08 -42.81 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -56.77 -35.48 68.71 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -78.79 -35.96 43.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.171 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.856 HG23 HG23 ' A' ' 89' ' ' VAL . 93.8 t -63.59 -67.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.795 174.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.805 HG23 HG11 ' A' ' 74' ' ' VAL . 3.2 t -175.67 99.37 0.07 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.591 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 177.512 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.738 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 10.9 t . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 48.2 p90 -59.28 -32.95 70.5 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.953 -0.467 . . . . 0.0 110.488 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.681 ' H ' HG23 ' A' ' 82' ' ' THR . 28.2 t70 -61.84 -34.06 75.28 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.738 ' HB3' ' O ' ' A' ' 82' ' ' THR . 21.2 tt0 -51.98 -54.62 27.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.622 174.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -49.24 69.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.807 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 84' ' ' ASP . 1.9 ptmt -62.38 -36.08 81.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.599 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HZ1' ' CG ' ' A' ' 84' ' ' ASP . 30.4 mttp -59.12 -50.55 73.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.153 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.856 HG23 HG23 ' A' ' 74' ' ' VAL . 4.7 t -58.67 -49.43 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.015 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.36 -35.05 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.83 58.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.44 -45.37 93.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 89' ' ' VAL . 25.8 m -64.79 -45.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.36 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.688 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HB2' HD13 ' A' ' 105' ' ' ILE . 34.7 tt0 -60.14 -55.42 34.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 30.0 t70 -55.36 -49.18 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.481 ' HD2' ' HG3' ' A' ' 108' ' ' GLU . 0.5 OUTLIER -62.41 -47.76 82.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.759 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . . . -74.8 -41.46 59.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -65.98 -49.34 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.4 pt20 -73.82 -19.49 60.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.164 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -92.68 -59.42 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 110.161 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -100.73 -76.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 33.6 mttt 167.1 -58.47 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.209 1.004 . . . . 0.0 110.619 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 103' ' ' LYS . 15.9 Cg_exo -70.83 152.32 63.67 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.511 2.141 . . . . 0.0 112.636 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 95' ' ' GLU . 5.1 tt -91.05 -38.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.466 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.66 23.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.254 -172.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -52.08 -50.63 61.18 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.697 0.284 . . . . 0.0 111.623 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.506 ' O ' HG13 ' A' ' 112' ' ' ILE . 29.5 mm-40 -73.67 -35.84 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.62 -45.45 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.752 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.69 -35.18 77.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.016 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.695 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -63.44 -47.49 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.4 mt -57.56 -49.29 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.365 0.602 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -59.29 -41.82 89.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.297 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.278 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 60.9 mttm -53.0 -52.02 59.73 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.53 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.739 HD23 HD11 ' A' ' 119' ' ' LEU . 91.9 mt -59.48 -40.39 86.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.527 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.23 92.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.199 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 120' ' ' GLU . 93.9 mttt -75.97 -15.56 60.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.314 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.739 HD11 HD23 ' A' ' 116' ' ' LEU . 84.9 mt -79.78 31.68 0.25 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.653 0.263 . . . . 0.0 111.175 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.5 mp0 . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.701 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.656 ' CZ2' ' HG ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.568 0.699 . . . . 0.0 111.622 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.679 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 13.9 t70 -78.7 167.89 20.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.445 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -50.58 -40.5 52.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.28 -41.08 18.73 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.394 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -64.84 -39.63 93.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.625 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.79 -39.19 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.683 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 4.5 mmmp? -86.56 -49.12 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.828 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -59.96 -38.97 84.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.715 -175.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.1 -38.49 62.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.444 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -76.27 -44.63 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.31 -46.08 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.056 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -56.38 22.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 0.0 111.115 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.8 p -87.05 154.83 20.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.643 0.259 . . . . 0.0 110.726 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.97 -36.15 60.15 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.597 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 34.6 ttpt -61.75 -49.46 76.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -72.13 -32.25 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.674 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.575 ' HE2' HG11 ' A' ' 89' ' ' VAL . 36.7 t80 -68.32 -46.47 70.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.65 -36.05 77.73 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.548 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -71.06 -51.34 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.533 -176.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -58.22 -38.3 76.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.692 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.915 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.2 mm? -75.6 -35.85 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.728 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 19.0 ttmm -65.92 -35.92 81.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.933 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.46 -28.38 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 111.147 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.7 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.64 6.42 65.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HB ' HD13 ' A' ' 51' ' ' LEU . 22.5 t -91.0 -35.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.399 0.618 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.915 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 9.2 tp -120.0 151.44 38.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 23.8 t70 -121.13 -94.99 0.49 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 58' ' ' ASP . 11.6 t-20 165.12 -45.73 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.812 0.695 . . . . 0.0 109.311 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -101.68 -49.05 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.796 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.46 87.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.231 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 58' ' ' ASP . 47.7 mm -67.97 125.39 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.497 0.665 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 67' ' ' THR . 1.6 m -63.58 138.75 58.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.774 -176.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.68 -37.94 93.06 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.6 m -60.27 -51.76 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.085 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ttt -58.75 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.214 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 63' ' ' THR . 10.2 t -67.92 -36.64 80.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.25 97.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.268 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 65' ' ' THR . 73.4 mt -64.69 -38.25 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.699 0.285 . . . . 0.0 110.242 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.26 -52.82 63.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.45 ' O ' HG21 ' A' ' 74' ' ' VAL . 21.3 m-85 -57.93 -43.55 86.37 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.962 0.411 . . . . 0.0 111.199 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.15 -28.17 69.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.056 0.455 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.679 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -84.75 -36.14 21.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -177.086 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.926 ' HB ' ' HG2' ' A' ' 85' ' ' GLU . 34.4 m -66.76 -43.67 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t 178.49 -22.15 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.629 -178.364 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -39.15 -71.51 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.14 -30.86 69.19 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.926 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 15.9 tm-20 -61.24 -59.31 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.578 ' HA ' HG22 ' A' ' 89' ' ' VAL . 30.0 m -63.23 -31.73 72.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.422 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.33 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.512 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 88' ' ' LYS . 55.6 mmtt -72.86 -41.58 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.225 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 74' ' ' VAL . 1.3 t -59.67 -58.03 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.401 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.56 -39.32 83.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.094 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.08 60.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.645 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.99 -46.45 74.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.404 0.145 . . . . 0.0 111.382 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.24 -44.73 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.62 91.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.664 ' HA ' HG21 ' A' ' 105' ' ' ILE . 32.0 tt0 -56.76 -54.12 49.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.672 ' HA ' ' HE ' ' A' ' 99' ' ' ARG . 19.7 t70 -64.57 -35.28 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.646 -174.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -74.31 -28.66 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.086 0.47 . . . . 0.0 110.034 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -83.74 -55.02 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.672 ' HE ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.87 -23.6 53.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -171.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 50.4 mt-30 -80.72 -52.21 7.8 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -101.6 -49.71 3.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.744 ' HG3' ' HD2' ' A' ' 104' ' ' PRO . 3.9 tppp? -92.76 -35.97 13.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -167.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.844 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 8.2 mmpt? 97.09 -70.23 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.544 1.538 . . . . 0.0 112.022 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.844 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 5.7 Cg_exo -78.15 122.84 5.88 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.965 1.776 . . . . 0.0 112.201 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.664 HG21 ' HA ' ' A' ' 95' ' ' GLU . 2.4 pp -62.97 -38.35 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.027 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -38.31 76.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.64 -44.51 93.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.414 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.44 -36.05 71.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.45 -39.73 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.37 -43.11 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.248 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.858 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 85.4 mt -63.24 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -41.14 86.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 33.5 tt0 -63.25 -40.64 98.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 57.8 tptt -50.06 -47.84 53.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.412 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.656 ' HG ' ' CZ2' ' A' ' 19' ' ' TRP . 3.0 mm? -63.21 -39.93 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 0.0 110.341 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 29.3 mtpp -69.27 -15.56 63.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.944 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 85.5 mt -90.02 27.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 177.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.465 ' CZ2' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 121.335 0.588 . . . . 0.0 111.699 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 18.0 t70 -85.35 157.7 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.964 -168.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.3 -44.71 65.2 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.844 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -39.43 17.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.479 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 1.9 t70 -50.54 -50.1 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.272 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.8 m -58.28 -32.81 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.671 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -73.95 -38.65 64.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -86.74 -43.16 12.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.42 HH22 ' HE3' ' A' ' 19' ' ' TRP . 43.8 ttp85 -79.2 -46.1 18.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.036 -174.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.644 ' HA ' ' HD2' ' A' ' 31' ' ' PHE . 2.1 t90 -65.67 -31.53 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.56 . . . . 0.0 110.11 -176.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.39 -44.07 72.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.803 175.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.26 70.54 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.229 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.644 ' HD2' ' HA ' ' A' ' 28' ' ' TRP . 39.2 m-85 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 121.081 0.467 . . . . 0.0 111.391 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -129.19 143.79 50.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.46 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.79 94.5 Favored Glycine 0 C--O 1.225 -0.465 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.58 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.32 -51.35 70.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.39 -46.99 77.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.93 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.83 -40.17 95.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.65 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 14.2 t70 -61.23 -29.73 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.61 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -84.79 -48.04 9.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -51.01 -44.88 61.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.093 175.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 10.1 tp -86.13 -34.05 20.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.352 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 27.9 tptt -63.18 -46.36 87.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.727 0.299 . . . . 0.0 110.223 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -70.26 -36.39 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.446 . . . . 0.0 110.567 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.94 43.34 6.4 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.138 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 t -126.55 -4.38 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.418 0.628 . . . . 0.0 110.009 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 59.2 tp -92.37 -37.09 12.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -123.1 -75.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.529 -172.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 56.98 18.28 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 73.45 -46.36 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.747 0.819 . . . . 0.0 111.766 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.51 -28.16 64.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.86 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.39 134.72 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 67' ' ' THR . 76.3 p -98.6 138.94 35.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.882 -172.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.36 -21.35 56.92 Favored Glycine 0 N--CA 1.453 -0.223 0 O-C-N 123.946 0.778 . . . . 0.0 112.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 t -75.04 -40.99 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.724 -0.28 . . . . 0.0 110.793 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 tpt -68.8 -53.13 23.42 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.645 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.62 -37.63 88.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.098 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.09 -45.69 95.56 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.543 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.8 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.28 89.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.7 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' HA ' HG23 ' A' ' 74' ' ' VAL . 82.7 t80 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.749 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.5 m -59.74 -27.27 66.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.305 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.36 -42.13 16.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.719 HG11 ' HB ' ' A' ' 89' ' ' VAL . 27.4 m -65.44 -30.82 51.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 111.753 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.2 p -93.54 -74.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.691 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.907 176.618 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.616 HG21 ' H ' ' A' ' 83' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.462 0.172 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.616 ' H ' HG21 ' A' ' 82' ' ' THR . 33.9 m-85 -54.31 -32.11 55.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.903 0.481 . . . . 0.0 111.742 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.793 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 27.9 t70 -59.28 -29.38 67.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.801 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.7 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 11.1 tm-20 -48.64 -63.67 1.02 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.06 0.544 . . . . 0.0 111.315 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 m -59.33 -41.91 90.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.268 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.793 ' HE3' ' HA ' ' A' ' 84' ' ' ASP . 15.0 pttp -69.71 -35.19 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.363 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HD1' ' A' ' 92' ' ' PHE . 25.4 mttp -69.12 -61.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.719 ' HB ' HG11 ' A' ' 74' ' ' VAL . 12.2 p -62.33 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.587 -171.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 tp -70.13 -35.69 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.704 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -43.53 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.877 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 88' ' ' LYS . 13.5 m-85 -60.16 -46.64 89.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 89' ' ' VAL . 22.5 m -64.24 -44.9 97.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.906 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.06 74.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.225 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 105' ' ' ILE . 41.7 tt0 -63.35 -44.53 94.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.543 -174.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.68 -35.99 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.459 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.0 -46.46 29.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.13 35.33 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.274 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.24 -25.04 65.89 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -172.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.502 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 44.9 mt-30 -79.06 -27.42 43.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 177.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -97.64 -66.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.475 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 27.4 mtpt -101.11 -77.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.211 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.689 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 83.4 tttt 169.1 -60.15 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 O-C-N 123.673 0.608 . . . . 0.0 111.652 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 5.3 Cg_exo -79.57 130.78 9.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.517 2.145 . . . . 0.0 113.766 -171.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -73.34 -42.53 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.747 176.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.52 -41.73 97.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.282 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.2 -40.09 92.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.924 0.393 . . . . 0.0 110.794 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 112' ' ' ILE . 7.3 tp10 -67.4 -48.61 66.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.26 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.6 tp -65.85 -37.87 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.88 -45.86 89.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.862 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -59.49 -50.79 72.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.69 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.8 mt -54.49 -49.45 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 110.627 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 m -63.02 -44.43 95.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.546 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.7 -38.79 67.4 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.17 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 53.9 mtpt -56.83 -38.78 73.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.587 0.232 . . . . 0.0 111.171 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.465 HD12 ' CZ2' ' A' ' 19' ' ' TRP . 56.0 mt -67.98 -42.16 81.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.61 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.786 0.803 . . . . 0.0 109.81 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 120' ' ' GLU . 29.0 ttpt -73.74 -15.34 61.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.617 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 tp -76.54 26.53 0.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 118' ' ' LYS . 46.5 mt-10 . . . . . 0 C--O 1.234 0.285 0 C-N-CA 123.869 0.868 . . . . 0.0 111.17 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.551 ' HB3' HG21 ' A' ' 24' ' ' VAL . 76.0 m95 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 121.872 0.844 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.867 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 11.4 t70 -106.38 165.66 11.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.441 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -39.65 -47.8 2.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.269 0.557 . . . . 0.0 111.442 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.39 -40.75 16.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.348 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.867 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 10.8 t70 -64.06 -42.88 96.85 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.727 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 19' ' ' TRP . 97.8 t -59.19 -44.62 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 0.0 110.076 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.17 -31.98 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.838 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HG3' ' HD2' ' A' ' 27' ' ' ARG . 19.0 ptpt -68.39 -40.43 81.34 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HD2' ' HG3' ' A' ' 26' ' ' LYS . 1.2 mpt_? -66.82 -44.94 79.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CZ2' HD13 ' A' ' 90' ' ' LEU . 35.7 m0 -58.25 -42.36 86.24 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.521 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.52 -43.84 89.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.775 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.21 -43.59 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.657 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 111.511 178.075 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -87.26 159.85 18.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.059 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.84 -47.49 78.62 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 114.348 -171.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.4 ttpt -73.13 -35.41 66.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.217 0.509 . . . . 0.0 111.155 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.59 -35.69 75.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.756 0.312 . . . . 0.0 110.665 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -69.9 -36.5 75.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 9.9 t70 -59.77 -28.28 67.26 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.392 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 94.6 mttt -72.22 -46.45 56.03 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -59.89 -36.56 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.221 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.867 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 4.1 mm? -79.91 -54.5 5.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.732 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 7.4 tmtt? -71.27 -46.3 61.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.552 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -75.35 -22.03 57.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.948 0.404 . . . . 0.0 111.031 -171.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB2' HD22 ' A' ' 116' ' ' LEU . . . -75.01 -34.03 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.29 13.13 9.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.555 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.67 -49.99 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.152 0.501 . . . . 0.0 110.104 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.867 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 19.6 tp -82.88 86.6 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.315 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.637 ' HB3' HG12 ' A' ' 62' ' ' ILE . 16.3 t70 -77.56 -35.35 53.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.848 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.9 t30 69.69 -46.62 0.59 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.989 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.99 -59.96 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.027 0.441 . . . . 0.0 110.238 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.53 -4.16 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.301 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.637 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.9 mm -100.99 131.6 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 110.05 15.79 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.821 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.74 -16.18 67.62 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.485 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -71.7 -49.01 43.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 96' ' ' ASP . 14.8 tpt -75.15 -47.83 26.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.238 0.542 . . . . 0.0 110.356 -178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.503 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 75.5 p -70.46 -37.89 74.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.469 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.72 95.39 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.426 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.6 mt -68.22 -39.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.93 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.667 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 67' ' ' THR . 35.3 m-85 -55.84 -44.9 78.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.446 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 m -69.49 -36.32 76.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.802 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -72.39 -30.69 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.324 0.583 . . . . 0.0 110.272 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 1.095 HG22 ' HB ' ' A' ' 89' ' ' VAL . 31.7 t -71.62 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.074 175.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -76.36 -77.32 0.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.401 -175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -174.416 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 ' OE1' ' A' ' 85' ' ' GLU . 3.9 t . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -48.13 -71.59 0.07 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -162.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 16.3 t70 -72.04 -30.43 65.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.004 0.43 . . . . 0.0 110.383 -174.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.698 ' HB3' HG12 ' A' ' 74' ' ' VAL . 4.7 mp0 -48.46 -54.61 13.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.298 174.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.8 m -58.69 -39.15 79.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.169 0.509 . . . . 0.0 111.005 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -63.86 -40.77 97.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.677 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 69.0 mttm -60.23 -55.45 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.23 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 1.095 ' HB ' HG22 ' A' ' 74' ' ' VAL . 7.7 p -59.88 -45.57 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.809 -172.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD13 ' CZ2' ' A' ' 28' ' ' TRP . 20.8 mt -64.85 -32.44 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.768 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -46.24 54.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.47 -44.06 92.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.621 0.248 . . . . 0.0 111.631 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.16 -45.45 98.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.37 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.31 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.67 ' HG3' HG22 ' A' ' 105' ' ' ILE . 42.8 tt0 -55.75 -49.0 74.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.895 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HB2' ' HG2' ' A' ' 66' ' ' MET . 36.0 t70 -61.44 -51.32 69.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.62 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 97' ' ' ARG . 19.7 ttt180 -58.92 -42.94 90.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.719 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.614 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -62.46 -53.65 51.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 62.9 mtm180 -63.69 -26.47 68.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.193 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.43 -45.24 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 t -74.2 -75.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.827 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 103' ' ' LYS . 40.7 ttmt -101.81 -76.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 63.8 pttt 170.12 -40.27 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.191 0.932 . . . . 0.0 111.828 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.506 ' HD3' ' CG ' ' A' ' 103' ' ' LYS . 1.2 Cg_endo -85.1 128.57 3.69 Favored 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 122.41 2.073 . . . . 0.0 111.842 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.67 HG22 ' HG3' ' A' ' 95' ' ' GLU . 1.7 pp -68.28 -38.35 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.38 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.93 83.73 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.35 -45.13 76.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.108 0.48 . . . . 0.0 111.111 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -67.36 -43.89 80.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.36 -34.13 77.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.04 0.448 . . . . 0.0 110.331 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 114' ' ' GLU . 9.4 t70 -60.36 -46.04 91.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.739 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.75 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.1 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 92.6 mt -66.78 -42.68 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.632 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -62.82 -45.72 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 110' ' ' ASP . 51.2 mt-10 -61.49 -40.22 93.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.553 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 58.5 tptt -49.37 -53.1 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.366 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' ' 54' ' ' ALA . 62.4 mt -73.35 -32.45 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.62 97.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.234 0.54 . . . . 0.0 110.426 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -82.08 -17.78 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.426 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.409 HD13 ' HE3' ' A' ' 115' ' ' LYS . 12.2 mt -94.29 30.22 2.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.38 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 124.543 1.152 . . . . 0.0 112.384 -173.639 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.679 ' OD1' ' HA ' ' A' ' 120' ' ' GLU . 94.9 m-20 . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.548 ' CZ2' ' HA ' ' A' ' 113' ' ' THR . 0.2 OUTLIER -74.28 106.99 6.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.761 0.791 . . . . 0.0 110.605 175.63 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 t70 -68.88 159.27 32.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -45.0 -51.47 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.4 0.619 . . . . 0.0 111.276 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.09 -39.67 60.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.701 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.441 ' HB3' ' N ' ' A' ' 20' ' ' ASP . 17.4 t70 -58.0 -39.34 78.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.914 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 20' ' ' ASP . 84.5 t -52.83 -45.48 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.095 0.474 . . . . 0.0 110.43 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -68.24 -41.14 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.278 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -58.26 -54.35 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.451 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -65.15 -38.3 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.659 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' HZ2' HD11 ' A' ' 90' ' ' LEU . 4.2 m0 -67.12 -53.82 27.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 111.021 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 33' ' ' LYS . 17.3 t70 -55.83 -43.08 76.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.291 -176.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.51 9.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.441 ' HB2' ' HB2' ' A' ' 83' ' ' PHE . 53.9 m-85 -57.83 -40.07 79.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.678 -177.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m -79.35 -46.53 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.926 -0.125 . . . . 0.0 111.302 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HZ3' ' CG ' ' A' ' 29' ' ' ASP . 43.7 mttp -56.34 -54.07 49.84 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.873 0.368 . . . . 0.0 111.429 -178.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.15 -35.17 25.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.332 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.54 52.15 3.83 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.22 67.71 8.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.355 -0.422 . . . . 0.0 111.513 -170.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.4 -67.18 0.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.6 m -107.3 74.85 0.99 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 122.459 1.124 . . . . 0.0 109.374 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.05 93.65 0.98 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.558 -1.655 . . . . 0.0 107.26 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 m 61.66 61.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -166.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.515 ' HA ' ' HZ1' ' A' ' 80' ' ' LYS . 7.7 pt-20 -88.44 148.09 24.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.104 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.87 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 85.7 mtp -122.02 119.3 31.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.85 154.75 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.943 0.777 . . . . 0.0 111.269 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.41 -36.5 38.08 Favored Glycine 0 C--O 1.226 -0.403 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.101 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.446 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 31.4 ttpt -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.137 0.494 . . . . 0.0 110.821 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.61 -36.57 57.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.222 -175.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -70.21 -40.21 74.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.647 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.334 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -45.19 60.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.792 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -53.77 -35.58 61.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.542 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.817 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.1 mm? -79.67 -49.21 12.45 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 83.8 mttt -70.52 -33.99 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.26 -26.36 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.324 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' HB1' HD23 ' A' ' 116' ' ' LEU . . . -72.29 -30.73 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.91 4.48 58.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.314 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.516 HG12 HG11 ' A' ' 93' ' ' VAL . 38.9 t -83.51 -50.74 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.296 0.57 . . . . 0.0 109.927 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.817 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 7.3 tt -107.12 92.4 4.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.06 -33.69 50.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.667 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.418 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 8.8 t-20 60.76 28.49 18.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 122.28 1.038 . . . . 0.0 109.389 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -122.98 -48.36 2.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.299 -174.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.32 -19.55 6.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.5 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -64.8 164.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.471 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.9 p -74.84 152.41 38.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.44 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.9 -22.84 40.71 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 172.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -61.43 -58.88 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.847 -0.676 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -46.66 73.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.3 p -67.07 -51.34 55.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.089 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.7 86.5 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.713 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.69 -30.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.521 0.201 . . . . 0.0 110.61 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' O ' HG22 ' A' ' 74' ' ' VAL . . . -56.62 -57.91 10.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.513 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.49 -43.92 93.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.019 0.438 . . . . 0.0 110.937 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -59.91 -27.06 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.441 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 73' ' ' LYS . 10.8 tppt? -93.9 -47.69 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.567 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.75 HG11 ' HB ' ' A' ' 89' ' ' VAL . 34.0 m -67.2 -58.71 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.505 ' N ' HG21 ' A' ' 74' ' ' VAL . 40.5 p -88.95 -54.91 3.91 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.74 -0.6 . . . . 0.0 111.056 -175.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.38 -87.64 0.77 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -172.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.49 -168.48 0.26 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.857 2.371 . . . . 0.0 112.134 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -96.37 -12.82 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.342 -173.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.485 ' HE2' ' HB3' ' A' ' 79' ' ' LYS . 41.7 mtpt -67.39 -75.25 0.1 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.87 ' HD3' ' H ' ' A' ' 42' ' ' MET . 27.8 ttpt 179.54 -167.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.867 ' H ' ' HG2' ' A' ' 80' ' ' LYS . . . -149.51 -118.09 0.05 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.558 HG21 ' OE2' ' A' ' 85' ' ' GLU . 14.2 t -168.12 -167.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 28' ' ' TRP . 89.6 t80 -44.1 -61.05 1.61 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.513 ' OD2' ' HE2' ' A' ' 88' ' ' LYS . 16.0 t0 -58.68 -52.65 64.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.391 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.558 ' OE2' HG21 ' A' ' 82' ' ' THR . 1.9 mp0 -55.62 -37.5 68.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.5 m -68.06 -42.58 80.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.257 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -71.99 -27.15 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.519 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.513 ' HE2' ' OD2' ' A' ' 84' ' ' ASP . 68.5 mttm -62.39 -56.37 18.93 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.75 ' HB ' HG11 ' A' ' 74' ' ' VAL . 7.1 p -64.54 -41.18 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.351 -174.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.573 HD11 ' HZ2' ' A' ' 28' ' ' TRP . 34.9 mt -60.63 -35.76 76.97 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.911 0.386 . . . . 0.0 110.303 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.94 -44.34 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -62.2 -45.72 92.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.679 0.276 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.516 HG11 HG12 ' A' ' 56' ' ' VAL . 61.1 t -63.97 -44.42 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.895 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.5 96.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.677 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' HG3' ' HB2' ' A' ' 99' ' ' ARG . 43.6 tt0 -61.77 -36.3 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.268 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 8.9 t70 -36.89 -64.88 0.32 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.005 0.815 . . . . 0.0 112.513 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.427 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.6 mtm180 -95.25 -29.3 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -44.4 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.255 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.874 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -73.63 -25.62 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.665 -174.202 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 78.6 mt-30 -64.84 -47.93 76.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 111.259 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -97.3 -55.36 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.721 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 69.7 tttt -90.92 -47.29 7.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.673 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.874 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 54.6 mtpt 105.28 -52.27 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 125.755 1.622 . . . . 0.0 113.774 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.43 120.82 8.68 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.831 1.688 . . . . 0.0 112.596 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -40.08 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.197 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.67 HE22 HD21 ' A' ' 109' ' ' LEU . 28.5 tp60 -54.81 -32.52 60.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.327 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.421 ' CG ' ' HZ3' ' A' ' 102' ' ' LYS . 16.5 t70 -57.93 -48.39 80.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.9 tp10 -75.5 -31.23 60.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.618 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.67 HD21 HE22 ' A' ' 106' ' ' GLN . 22.0 tp -61.31 -48.36 81.73 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.833 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.25 -39.76 79.99 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB1' ' HE3' ' A' ' 115' ' ' LYS . . . -60.36 -52.08 66.78 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.496 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 108' ' ' GLU . 95.0 mt -51.53 -53.11 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.046 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.548 ' HA ' ' CZ2' ' A' ' 19' ' ' TRP . 3.7 m -59.65 -42.2 92.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.506 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.93 -40.83 78.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.261 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.521 ' HE3' ' HB1' ' A' ' 111' ' ' ALA . 87.7 mttt -61.27 -57.52 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.877 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.572 ' HA ' ' HB3' ' A' ' 119' ' ' LEU . 95.1 mt -66.72 -16.26 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.039 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.84 83.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.966 0.412 . . . . 0.0 110.587 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -103.65 -17.21 15.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.393 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.572 ' HB3' ' HA ' ' A' ' 116' ' ' LEU . 15.5 tp -85.08 17.39 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.679 ' HA ' ' OD1' ' A' ' 18' ' ' ASN . 40.2 mt-10 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.417 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.435 ' CG ' HD22 ' A' ' 119' ' ' LEU . 44.1 m-80 . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 120.952 0.406 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.462 ' CD2' HG21 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -55.54 149.16 14.19 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.231 174.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 24' ' ' VAL . 12.7 t70 -79.9 151.65 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.1 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.625 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 26.4 t70 -45.48 -52.86 9.67 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.616 0.572 . . . . 0.0 111.846 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.2 80.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.469 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.12 -39.37 94.5 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.06 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 20' ' ' ASP . 82.7 t -51.34 -55.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -64.03 -40.79 97.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.374 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -68.35 -41.03 81.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -53.4 -46.64 69.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.607 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -62.81 -46.59 87.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.25 -44.28 88.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.84 75.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.864 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.68 -29.26 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 111.038 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 m -77.9 -41.37 36.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.502 . . . . 0.0 111.071 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -76.51 -44.15 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.427 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' HB3' ' H ' ' A' ' 35' ' ' GLY . 89.0 m-85 -89.36 -152.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.534 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 34' ' ' PHE . . . -113.0 82.49 0.31 Allowed Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . . . -74.5 70.11 1.74 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.322 0.582 . . . . 0.0 110.664 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.49 -37.39 74.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -73.8 -23.85 59.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.08 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 36' ' ' ALA . . . -85.45 42.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.696 0.76 . . . . 0.0 110.141 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.456 HG23 ' HG2' ' A' ' 41' ' ' GLU . 11.2 t -77.36 -26.78 52.29 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.615 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.456 ' HG2' HG23 ' A' ' 40' ' ' THR . 11.9 pt-20 -172.01 148.45 2.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.272 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.5 tpt -104.77 136.86 43.48 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.341 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 p -70.2 123.49 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.607 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.3 18.67 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.592 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -61.54 -39.77 92.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.053 0.454 . . . . 0.0 111.062 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.33 -33.59 74.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.695 ' HE2' HG13 ' A' ' 89' ' ' VAL . 14.7 t80 -71.91 -36.49 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.887 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.54 -41.27 72.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.171 0.51 . . . . 0.0 110.548 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -75.78 -45.41 36.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -55.18 -38.76 68.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.378 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.947 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 2.5 mm? -75.72 -36.16 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -72.41 -42.23 65.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.041 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.55 -45.37 83.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.778 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.12 67.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.721 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.93 17.5 35.0 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.356 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.48 -36.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 110.441 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.947 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 21.3 tp -86.65 97.1 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.74 -56.06 4.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.031 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 m-20 64.57 9.11 4.84 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -103.45 -49.11 3.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.46 -11.52 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.623 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.422 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 66.2 mt -103.91 120.98 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.265 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.502 ' O ' HG21 ' A' ' 67' ' ' THR . 12.5 p -115.67 -178.98 3.52 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.35 -29.73 23.73 Favored Glycine 0 C--N 1.332 0.351 0 CA-C-N 114.862 -1.063 . . . . 0.0 114.227 -175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -70.78 -34.05 71.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.546 0.673 . . . . 0.0 111.456 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.23 -57.28 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.152 0.501 . . . . 0.0 109.982 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.502 HG21 ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -63.34 -37.4 87.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.437 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.36 -46.74 89.75 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.836 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.49 -44.09 98.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.736 0.303 . . . . 0.0 110.495 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.549 ' O ' HG11 ' A' ' 74' ' ' VAL . . . -57.14 -50.59 72.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.328 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.562 ' HA ' HG22 ' A' ' 74' ' ' VAL . 75.9 t80 -58.99 -43.72 91.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.034 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 m -59.3 -30.85 68.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.447 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -83.21 -39.35 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.653 HG13 HG23 ' A' ' 89' ' ' VAL . 13.5 m -73.26 -24.7 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.623 HG23 HG21 ' A' ' 74' ' ' VAL . 25.5 p -130.02 -86.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.402 ' HA3' ' HD3' ' A' ' 77' ' ' PRO . . . 103.79 -100.94 1.94 Allowed Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -174.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HD3' ' HA3' ' A' ' 76' ' ' GLY . 5.3 Cg_exo -80.83 -176.53 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 123.063 2.508 . . . . 0.0 111.894 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -21.57 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.65 -36.86 70.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.866 173.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.496 ' HB3' ' OE1' ' A' ' 85' ' ' GLU . 61.6 mtpt 56.97 -152.11 0.4 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.581 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 1.023 ' HB1' ' HB2' ' A' ' 85' ' ' GLU . . . -117.45 -94.91 0.49 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.671 -0.812 . . . . 0.0 112.079 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.578 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 8.9 t 163.99 -139.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -173.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.36 -34.72 69.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.053 0.388 . . . . 0.0 110.553 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.498 ' H ' HG21 ' A' ' 82' ' ' THR . 15.0 t70 -54.57 -49.81 69.46 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.949 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.023 ' HB2' ' HB1' ' A' ' 81' ' ' ALA . 41.3 tt0 -44.5 -53.71 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.051 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.9 m -61.15 -52.22 65.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.003 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HB2' ' HZ3' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -68.1 -29.52 68.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.61 0.243 . . . . 0.0 111.137 -176.085 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.543 ' CB ' HG12 ' A' ' 74' ' ' VAL . 29.6 mmtp -65.14 -46.33 81.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.669 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.695 HG13 ' HE2' ' A' ' 47' ' ' PHE . 29.7 t -57.95 -50.69 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.779 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.96 -36.45 72.6 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.522 ' O ' ' HB2' ' A' ' 95' ' ' GLU . . . -69.74 -40.16 76.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -75.15 -40.6 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 89' ' ' VAL . 21.2 m -64.4 -44.64 97.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.724 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.59 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.813 ' HG2' HG21 ' A' ' 105' ' ' ILE . 1.1 tm-20 -49.67 -61.07 2.33 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.713 0.633 . . . . 0.0 110.416 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.97 -41.4 82.84 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.685 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.789 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -66.27 -50.37 63.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 108' ' ' GLU . . . -69.8 -35.44 74.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 35.2 ttp180 -60.0 -38.77 83.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.532 ' NE2' HH22 ' A' ' 97' ' ' ARG . 49.4 mt-30 -86.5 -20.65 27.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 t -80.94 -76.19 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.431 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -100.99 -76.03 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.742 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 20.5 mtpt 173.04 -54.18 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 125.079 1.351 . . . . 0.0 109.204 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 55.7 Cg_endo -72.17 133.37 21.11 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.054 1.836 . . . . 0.0 112.309 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.813 HG21 ' HG2' ' A' ' 95' ' ' GLU . 19.4 pt -75.15 -38.3 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -52.12 -27.93 15.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.46 -56.12 26.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.744 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.645 ' HB2' ' HB3' ' A' ' 98' ' ' ALA . 7.3 tp10 -66.42 -32.08 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.13 -51.1 65.32 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.676 ' HA ' ' OG1' ' A' ' 113' ' ' THR . 28.7 t70 -69.04 -26.81 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.144 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.56 -44.46 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.103 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.81 -49.95 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.51 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.676 ' OG1' ' HA ' ' A' ' 110' ' ' ASP . 22.3 p -58.89 -42.36 89.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.671 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 26.9 tt0 -65.18 -45.34 85.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.643 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 31.4 ttpt -58.61 -46.9 86.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 19' ' ' TRP . 25.7 mt -59.04 -50.21 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.016 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 21' ' ' ASP . . . -57.35 -38.63 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.533 -176.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 22.4 ptmt -90.29 -12.68 37.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.633 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 14.2 tp -76.17 18.89 0.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -170.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.986 0.422 . . . . 0.0 110.369 -174.744 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.515 ' OD1' ' HA ' ' A' ' 120' ' ' GLU . 8.2 t30 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.962 ' HZ2' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -60.69 127.81 33.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.588 0.708 . . . . 0.0 110.719 175.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.59 ' O ' HG21 ' A' ' 24' ' ' VAL . 27.2 t70 -96.57 166.24 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.115 -173.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -35.17 -61.9 0.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.2 1.0 . . . . 0.0 112.664 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.871 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 34.5 t70 -55.92 -39.22 71.32 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.784 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG21 ' O ' ' A' ' 20' ' ' ASP . 94.0 t -57.04 -59.51 3.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.36 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.92 -22.3 64.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.399 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 26' ' ' LYS . 10.3 mtpm? -54.07 -44.65 71.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 175.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -72.51 -41.65 65.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.627 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 2.2 m95 -59.15 -40.41 85.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.547 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.28 -44.82 90.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.417 ' HB3' ' HB1' ' A' ' 37' ' ' ALA . . . -57.69 -50.88 71.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 111.36 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.868 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 21.4 m-85 -67.72 -14.66 63.13 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 m -96.59 -51.91 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.029 -0.419 . . . . 0.0 111.007 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -65.26 -53.25 47.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.956 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -89.02 -33.99 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.339 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.36 -28.44 9.64 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -170.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.868 ' HA ' ' HD1' ' A' ' 31' ' ' PHE . . . 172.67 129.82 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.548 -1.326 . . . . 0.0 107.673 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' HB1' ' HB3' ' A' ' 30' ' ' ALA . . . -52.17 -58.1 7.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.38 0.425 . . . . 0.0 111.563 -175.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -159.19 21.15 0.19 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.55 0.69 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.48 103.79 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.816 -172.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -96.64 -1.11 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.594 0.712 . . . . 0.0 109.493 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -100.08 96.0 7.22 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.024 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.8 mtp -120.04 97.01 5.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -73.49 124.17 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.224 0.535 . . . . 0.0 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.552 ' HA3' ' O ' ' A' ' 78' ' ' LYS . . . -70.85 -23.43 77.95 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.858 -175.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -68.87 -38.26 79.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.104 0.478 . . . . 0.0 109.9 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.76 -38.53 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 86' ' ' THR . 72.1 t80 -65.42 -41.12 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.79 -37.79 77.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.278 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -74.91 -45.52 42.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.854 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.413 ' HD1' HD21 ' A' ' 51' ' ' LEU . 72.3 t-105 -51.93 -32.3 32.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.282 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.9 mm? -92.57 -36.26 13.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.893 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.643 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 60.1 tttm -73.12 -44.66 59.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.718 0.294 . . . . 0.0 111.225 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.89 -33.41 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.389 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.81 68.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.075 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.31 -2.74 59.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.393 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.2 t -76.91 -44.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.383 0.611 . . . . 0.0 109.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.691 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -107.81 83.41 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.877 174.073 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.86 ' HB3' HG12 ' A' ' 62' ' ' ILE . 11.4 t70 -54.58 -40.7 69.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.828 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 t30 70.55 -6.28 1.24 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.039 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -110.68 -54.52 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.19 0.519 . . . . 0.0 110.13 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.15 19.69 20.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.446 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.86 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.5 mm -89.8 127.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.444 0.64 . . . . 0.0 110.345 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.43 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 3.1 m -61.28 144.51 53.74 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.649 -177.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.12 -25.21 61.86 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.658 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -55.9 -40.72 73.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.206 0.527 . . . . 0.0 110.71 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.43 ' SD ' ' HB ' ' A' ' 63' ' ' THR . 1.9 mpt? -85.35 -59.2 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.025 -178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -66.74 -44.38 81.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.593 -173.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.72 -50.02 64.53 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.41 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.03 -40.29 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.595 0.197 . . . . 0.0 110.649 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.76 -56.5 19.79 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.977 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.58 ' HA ' HG22 ' A' ' 74' ' ' VAL . 44.4 m-85 -61.55 -44.03 97.78 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.26 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.6 m -57.35 -27.81 62.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.127 -0.358 . . . . 0.0 111.817 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' HZ2' ' HE2' ' A' ' 92' ' ' PHE . 96.1 mttt -83.35 -29.29 28.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.58 HG22 ' HA ' ' A' ' 71' ' ' PHE . 33.7 m -99.95 -39.83 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 t 174.24 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 108.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.0 -61.5 3.43 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.994 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.33 135.5 24.73 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.475 2.116 . . . . 0.0 111.748 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 91.7 mttt -71.09 -11.04 60.73 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.702 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -35.06 -68.57 0.12 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -174.92 158.17 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -146.34 -92.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.277 0.361 . . . . 0.0 111.396 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.574 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 11.4 t 172.32 -175.85 0.05 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -174.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.434 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 69.2 t80 -62.95 -32.9 74.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.225 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.4 -44.06 68.4 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.659 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -59.14 -61.14 2.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.005 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.569 HG21 ' CE1' ' A' ' 47' ' ' PHE . 30.2 m -50.13 -48.72 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.744 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 83' ' ' PHE . 13.9 ptmm? -64.59 -36.44 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.706 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.527 ' HB2' HG12 ' A' ' 74' ' ' VAL . 57.9 mtmt -74.25 -41.99 60.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.258 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 85' ' ' GLU . 31.0 t -58.76 -55.23 24.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.732 0.301 . . . . 0.0 110.565 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.627 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 36.4 mt -60.22 -44.95 94.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.355 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.44 77.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.7 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.419 ' HE2' ' HZ2' ' A' ' 73' ' ' LYS . 48.5 t80 -70.74 -51.72 25.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.637 0.256 . . . . 0.0 111.022 -179.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.62 -45.67 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.756 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.15 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.611 ' HA ' HG13 ' A' ' 105' ' ' ILE . 36.8 tt0 -59.13 -68.43 0.27 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.586 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.633 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 2.2 t70 -64.91 -33.05 75.11 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.1 0.25 . . . . 0.0 111.433 -170.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -56.35 -50.74 70.65 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.607 ' HB1' ' HB2' ' A' ' 108' ' ' GLU . . . -74.62 -43.62 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.382 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.633 ' HB3' ' HA ' ' A' ' 96' ' ' ASP . 59.8 ttt180 -45.46 -49.46 13.44 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.99 0.916 . . . . 0.0 112.273 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -73.89 -40.55 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.864 0.364 . . . . 0.0 111.494 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -93.49 -60.08 1.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.557 ' C ' ' HD2' ' A' ' 104' ' ' PRO . 91.8 mttt -96.69 -41.41 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.94 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 51.2 mtpt 103.07 -64.31 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.993 1.717 . . . . 0.0 112.017 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.557 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 37.8 Cg_endo -66.72 108.16 1.4 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.673 1.582 . . . . 0.0 113.195 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.611 HG13 ' HA ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.59 -40.52 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.694 178.26 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.91 -39.51 74.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.176 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.17 -40.04 90.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.834 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.607 ' HB2' ' HB1' ' A' ' 98' ' ' ALA . 10.6 tp10 -63.98 -44.56 92.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.8 -41.67 99.38 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.42 -40.48 94.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.28 94.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.76 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 108' ' ' GLU . 94.1 mt -59.12 -49.4 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.9 m -57.22 -48.57 78.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.558 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -38.93 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.678 0.275 . . . . 0.0 111.0 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.74 ' HB2' ' HZ1' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -59.7 -42.17 92.4 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.962 HD11 ' HZ2' ' A' ' 19' ' ' TRP . 46.0 mt -59.81 -38.41 81.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.97 84.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.453 0.644 . . . . 0.0 110.379 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.36 -16.9 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.925 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt -98.99 16.19 23.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.992 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.515 ' HA ' ' OD1' ' A' ' 18' ' ' ASN . 9.6 pt-20 . . . . . 0 N--CA 1.47 0.534 0 O-C-N 124.332 1.02 . . . . 0.0 112.671 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.485 ' CG ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.55 144.96 12.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.915 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.649 ' O ' HG21 ' A' ' 24' ' ' VAL . 1.6 m-20 -60.35 148.19 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.812 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -49.6 -47.1 49.76 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.744 0.783 . . . . 0.0 110.811 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -39.4 58.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.176 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.463 ' CB ' ' HB2' ' A' ' 20' ' ' ASP . 30.9 t70 -60.13 -39.85 87.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.72 -175.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.649 HG21 ' O ' ' A' ' 20' ' ' ASP . 34.3 t -47.8 -59.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.489 0.493 . . . . 0.0 110.836 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 43.8 tptt -66.36 -44.71 82.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.675 -177.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.808 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 6.3 ttpm? -54.39 -42.99 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.187 0.518 . . . . 0.0 110.985 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' NH2' ' HB3' ' A' ' 19' ' ' TRP . 3.1 ttp180 -79.63 -47.33 15.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.593 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.79 -45.58 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.237 0.542 . . . . 0.0 111.032 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.477 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.8 t70 -64.73 -43.75 92.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.668 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.173 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.633 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 18.3 m-85 -57.24 -36.32 70.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.552 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 m -86.53 -41.33 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.858 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -85.19 -60.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -84.84 -36.57 21.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.161 0.505 . . . . 0.0 110.465 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.09 -35.71 2.32 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HA ' ' HD1' ' A' ' 31' ' ' PHE . . . 179.39 153.74 0.45 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.42 -38.01 20.74 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.5 p -139.55 -88.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.721 170.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 40.52 50.11 2.77 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 169.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -64.99 -59.91 3.63 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -145.24 147.36 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 ttt -144.69 141.55 29.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -99.19 160.56 14.18 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.855 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -50.83 61.65 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.054 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -54.58 -33.98 61.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.977 0.388 . . . . 0.0 112.022 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.98 -29.02 61.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.633 0.254 . . . . 0.0 111.083 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' HE2' HG12 ' A' ' 89' ' ' VAL . 16.8 t80 -87.71 -39.58 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.229 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -23.48 65.87 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.284 0.564 . . . . 0.0 109.698 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -68.29 -50.04 56.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.515 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -61.84 -38.59 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.38 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.4 mm? -70.45 -42.14 71.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.562 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 12.3 tmtt? -73.75 -51.82 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.458 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -73.7 -22.23 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.459 -169.256 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.28 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.291 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.46 19.33 18.61 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.613 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.3 t -93.8 -46.11 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.748 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.638 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 4.9 tp -93.02 28.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.339 0.59 . . . . 0.0 110.446 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.16 69.87 0.15 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.676 0.75 . . . . 0.0 109.485 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.619 ' OD1' ' HG2' ' A' ' 60' ' ' LYS . 29.0 t-20 -103.23 -69.02 0.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.452 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.619 ' HG2' ' OD1' ' A' ' 59' ' ' ASN . 59.8 pttt 177.54 -48.73 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.518 0.675 . . . . 0.0 109.822 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.74 57.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.107 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.16 113.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.678 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.4 p -80.22 -178.58 6.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.242 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.17 -9.51 21.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.25 -59.9 2.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.912 -0.644 . . . . 0.0 110.572 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -60.53 -45.87 92.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -64.37 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.834 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.2 99.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.172 -0.537 . . . . 0.0 111.997 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -55.87 -48.61 75.26 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.473 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -56.5 -43.8 80.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.171 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.5 m -67.27 -32.32 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.462 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.21 -25.7 60.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.121 0.486 . . . . 0.0 110.751 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.127 HG12 ' HB3' ' A' ' 85' ' ' GLU . 73.0 t -89.78 -63.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.503 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.633 HG23 HG13 ' A' ' 74' ' ' VAL . 21.4 p -111.73 29.24 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.59 -58.81 5.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.328 2.019 . . . . 0.0 113.401 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.553 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 17.6 ptpt -63.93 -11.15 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.685 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -47.86 -34.35 8.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.417 0.687 . . . . 0.0 111.793 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 78' ' ' LYS . 10.3 mmmm 77.44 173.45 0.2 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.566 0.746 . . . . 0.0 111.316 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 75' ' ' THR . . . -90.49 81.2 5.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.435 0.636 . . . . 0.0 110.66 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 p -100.39 -157.11 0.59 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.278 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 31' ' ' PHE . 19.2 p90 -58.01 -46.25 85.58 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.95 -37.46 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.684 . . . . 0.0 110.184 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.127 ' HB3' HG12 ' A' ' 74' ' ' VAL . 6.5 mp0 -66.51 -47.04 74.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.485 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.2 m -58.63 -41.37 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.19 0.519 . . . . 0.0 110.476 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.6 -43.32 93.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.408 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -64.22 -44.39 92.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.803 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.833 HG22 HG22 ' A' ' 74' ' ' VAL . 20.1 t -58.58 -57.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.907 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.06 -34.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.94 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.411 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -72.11 -38.66 69.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.01 -44.47 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.17 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.527 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.728 ' HA ' HG21 ' A' ' 105' ' ' ILE . 1.3 tm-20 -49.92 -45.8 51.37 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.377 0.671 . . . . 0.0 111.677 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.31 -56.76 9.89 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.087 0.47 . . . . 0.0 110.582 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.2 ttt180 -70.16 -46.68 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.248 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.498 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -59.38 -45.57 91.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -60.77 -36.09 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 -176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -91.43 -10.45 40.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.67 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 m -100.45 -65.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.217 0.532 . . . . 0.0 110.56 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 28.3 mmtp -101.7 -76.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.492 0.663 . . . . 0.0 109.284 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.823 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 88.3 tttt 163.16 -54.89 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.703 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.823 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 3.9 Cg_exo -78.37 150.66 25.55 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.547 2.165 . . . . 0.0 111.6 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.728 HG21 ' HA ' ' A' ' 95' ' ' GLU . 2.7 pp -76.53 -38.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.578 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.56 -41.07 63.24 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.466 -175.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -57.22 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 111.605 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 37.3 mm-40 -77.5 -31.35 53.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.292 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.25 -40.82 94.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.73 -39.8 95.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.618 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.25 93.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.67 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.8 mt -58.78 -49.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.294 0.568 . . . . 0.0 110.762 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.9 m -59.32 -46.63 88.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.82 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -67.02 -40.83 87.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.73 -0.213 . . . . 0.0 111.118 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -58.93 -39.15 80.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.598 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 98.3 mt -71.84 -36.95 70.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.013 0.435 . . . . 0.0 110.848 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.18 87.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.502 0.668 . . . . 0.0 109.652 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 118' ' ' LYS . 8.0 tppt? -67.41 -19.07 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.973 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 25.7 tp -80.57 19.27 0.82 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 118' ' ' LYS . 49.1 mt-10 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.413 -174.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 120.768 0.318 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.49 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -67.07 106.76 2.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.405 0.622 . . . . 0.0 110.449 171.886 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.445 ' O ' HG11 ' A' ' 24' ' ' VAL . 64.3 m-20 -79.01 172.95 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.414 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -48.66 -60.32 2.81 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.755 0.66 . . . . 0.0 112.073 -176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.07 32.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.228 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.422 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.1 t70 -56.06 -45.02 79.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.295 -175.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 ' HB ' ' HB2' ' A' ' 19' ' ' TRP . 8.4 p -62.02 -46.19 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.373 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.82 -40.11 91.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -67.94 -42.48 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.938 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.2 mtt180 -68.63 -40.36 80.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.535 0.207 . . . . 0.0 111.137 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -66.39 -40.78 89.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.327 0.584 . . . . 0.0 109.793 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.43 -41.76 93.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.373 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.41 -40.95 8.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.534 178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -52.98 -33.71 52.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.406 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -87.12 -41.37 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.962 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.0 mmtt -78.88 -62.75 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -86.76 -37.37 17.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.947 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.35 -11.86 56.91 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.23 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.73 68.39 0.7 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.42 0.629 . . . . 0.0 111.148 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.63 57.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.763 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -92.4 -20.96 20.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.981 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.89 77.95 1.48 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.01 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -93.8 -22.05 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.501 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.55 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 29.5 tt0 -108.29 109.73 21.14 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.194 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 55.0 tpp -104.28 124.56 49.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.6 p -101.61 143.54 31.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.723 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.5 -29.76 61.15 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.554 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.4 -58.14 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 0.0 110.763 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.07 -36.84 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -69.45 -41.09 76.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.728 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.02 -39.87 79.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.206 0.527 . . . . 0.0 110.986 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -78.05 -42.38 32.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.053 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.46 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 53.2 t-105 -51.86 -38.56 56.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.5 mm? -75.46 -37.53 60.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.621 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -56.14 -56.42 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -23.64 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.767 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.21 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.844 0.354 . . . . 0.0 110.373 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.1 0.68 57.16 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.113 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -82.4 -24.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.229 0.537 . . . . 0.0 110.274 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.845 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 15.7 tp -79.38 -165.93 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.049 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.845 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 24.7 t70 -63.66 82.15 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.276 1.036 . . . . 0.0 111.51 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.412 ' OD1' ' HG3' ' A' ' 60' ' ' LYS . 25.3 t-20 -70.41 -43.24 70.42 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.284 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 65.3 mttp -134.47 -78.71 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -177.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 69.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.731 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.469 HD11 HH11 ' A' ' 97' ' ' ARG . 9.1 mt -91.6 128.18 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.21 0.529 . . . . 0.0 110.026 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.459 ' O ' HG21 ' A' ' 67' ' ' THR . 0.7 OUTLIER -57.92 110.75 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.367 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' OG1' ' A' ' 67' ' ' THR . . . -63.46 -30.7 78.38 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.696 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 t -62.46 -36.44 82.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.798 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.43 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 67.5 mtt -84.39 -45.6 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.459 HG21 ' O ' ' A' ' 63' ' ' THR . 65.7 p -60.29 -36.29 77.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.562 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.42 78.9 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.315 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.481 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 73.0 mt -60.06 -51.68 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.77 -42.54 75.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.242 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.6 -43.25 89.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.78 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 m -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 73.7 mmtt -74.8 -42.03 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.228 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.778 HG22 ' HA ' ' A' ' 85' ' ' GLU . 2.5 p -70.11 -57.94 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.853 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.684 HG21 HG23 ' A' ' 74' ' ' VAL . 10.9 t 177.02 115.55 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.35 0.595 . . . . 0.0 111.304 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.09 -57.78 13.8 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.998 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.88 117.89 4.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.366 2.044 . . . . 0.0 111.589 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -77.26 -13.6 59.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.658 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.45 -61.67 2.37 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.96 0.162 . . . . 0.0 111.06 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.55 ' HD2' ' HA ' ' A' ' 41' ' ' GLU . 5.4 ttpm? -162.7 148.42 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.639 ' HB2' ' HB2' ' A' ' 85' ' ' GLU . . . -108.45 -84.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.132 176.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.567 HG22 ' H ' ' A' ' 84' ' ' ASP . 11.1 t 177.95 -164.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 110.801 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.605 ' HB3' ' HE3' ' A' ' 88' ' ' LYS . 14.4 m-20 -61.31 -28.13 68.98 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.956 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.778 ' HA ' HG22 ' A' ' 74' ' ' VAL . 6.9 tm-20 -41.75 -72.84 0.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.587 0.755 . . . . 0.0 112.026 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -59.92 -38.52 82.58 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.364 0.602 . . . . 0.0 111.17 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -59.41 -46.91 87.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.375 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.605 ' HE3' ' HB3' ' A' ' 84' ' ' ASP . 97.8 mttt -70.93 -47.67 57.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.634 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.448 HG21 ' O ' ' A' ' 85' ' ' GLU . 40.3 t -56.67 -52.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.5 mt -59.25 -41.66 89.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.888 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.9 54.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.432 ' HD2' ' O ' ' A' ' 88' ' ' LYS . 44.5 m-85 -75.3 -42.42 54.71 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.538 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.85 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.799 ' HG3' HG21 ' A' ' 105' ' ' ILE . 37.9 tt0 -59.0 -60.12 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 66' ' ' MET . 3.3 m-20 -62.03 -38.94 90.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.024 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.469 HH11 HD11 ' A' ' 62' ' ' ILE . 2.2 mmm180 -55.17 -51.59 66.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.088 175.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.811 ' HB1' ' HA ' ' A' ' 105' ' ' ILE . . . -72.31 -46.89 53.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.397 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.5 ttp-105 -54.16 -34.23 59.94 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.596 0.56 . . . . 0.0 111.177 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.11 -31.67 44.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.148 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 m -100.58 -75.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.72 -36.22 21.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.222 -176.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.549 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 63.4 mttp 101.9 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.227 1.811 . . . . 0.0 111.867 -173.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 27.2 Cg_exo -64.71 117.4 4.47 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.624 1.55 . . . . 0.0 111.674 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.811 ' HA ' ' HB1' ' A' ' 98' ' ' ALA . 1.5 pp -65.92 -38.92 83.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.977 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.02 -26.96 65.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.409 ' OD2' ' HG2' ' A' ' 102' ' ' LYS . 35.2 t70 -63.25 -35.83 81.63 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.0 0.187 . . . . 0.0 111.198 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' O ' HG13 ' A' ' 112' ' ' ILE . 15.6 mm-40 -70.74 -40.79 72.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.922 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.42 -39.91 95.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.01 -49.49 76.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.244 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.54 86.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.244 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.566 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 95.1 mt -58.87 -54.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.573 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -42.36 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.963 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.83 -44.81 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.566 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 13.3 mptt -61.99 -44.07 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.583 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 112' ' ' ILE . 84.7 mt -64.61 -41.93 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.79 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.228 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.475 ' C ' ' H ' ' A' ' 120' ' ' GLU . 12.3 ptmm? -88.31 -12.4 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.16 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 17.4 tp -69.1 32.05 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.274 0.63 . . . . 0.0 112.325 -175.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.6 mp0 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.859 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.685 ' HZ2' HD11 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -99.59 -179.32 4.16 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.518 172.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.741 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 8.5 t70 -142.89 166.13 25.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.85 -48.24 8.3 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.028 0.531 . . . . 0.0 111.733 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -40.25 16.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 110.701 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.741 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -55.91 -39.2 71.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.208 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 20' ' ' ASP . 97.2 t -54.72 -53.5 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.068 0.461 . . . . 0.0 110.819 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -64.42 -37.16 86.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.96 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.05 -50.28 73.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.096 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 69.2 mtt180 -59.58 -45.33 92.18 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.226 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -57.02 -40.79 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.57 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.43 -43.96 13.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.439 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -55.56 21.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.415 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -59.17 -32.64 70.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.339 0.399 . . . . 0.0 111.988 -174.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.5 m -60.57 -39.19 87.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.31 0.576 . . . . 0.0 110.237 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -79.45 0.41 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.371 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -112.5 148.23 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -170.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.06 -37.08 3.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.59 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' O ' ' HB ' ' A' ' 40' ' ' THR . . . -87.1 15.13 6.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.743 0.306 . . . . 0.0 111.784 -174.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.27 -52.09 9.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.939 0.399 . . . . 0.0 110.286 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -36.1 46.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.19 82.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.507 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 8.0 t -102.42 -23.47 13.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.88 -174.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 101.2 6.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.918 0.389 . . . . 0.0 111.943 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 43.9 ttm -98.63 88.52 4.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 171.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -61.71 149.0 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.84 94.0 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.672 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 48' ' ' ASP . 32.1 ttpt -74.98 -20.18 59.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -71.79 -46.88 56.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 86.3 t80 -63.74 -44.48 93.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.046 174.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.531 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 10.9 t70 -55.05 -41.79 71.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.521 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.798 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 53.6 tttm -79.12 -48.07 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.396 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.489 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 20.3 t-105 -54.89 -34.06 62.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.358 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HB3' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -81.28 -36.93 29.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.992 -177.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.798 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 46.8 pttt -81.62 -33.22 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.353 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -42.43 94.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.35 78.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.683 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.6 24.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.459 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.15 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.214 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.534 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 5.8 tp -119.45 163.49 17.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.3 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.805 ' H ' HG13 ' A' ' 62' ' ' ILE . 8.9 t70 51.95 76.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.152 0.907 . . . . 0.0 111.227 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -164.65 70.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.39 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm 74.7 -59.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.86 0.864 . . . . 0.0 111.841 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 6.07 12.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.261 -174.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.805 HG13 ' H ' ' A' ' 58' ' ' ASP . 41.6 mm -95.35 101.17 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.567 0.698 . . . . 0.0 110.028 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -104.22 -152.51 0.46 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.793 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.12 -28.82 4.8 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 69' ' ' ILE . 5.8 t -77.29 -47.36 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.681 -0.305 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.2 mtp -61.33 -46.36 90.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.437 HG22 HG23 ' A' ' 62' ' ' ILE . 81.2 p -75.37 -39.3 59.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.846 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.62 -43.95 94.12 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.591 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.525 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 85.1 mt -58.55 -48.33 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.531 0.205 . . . . 0.0 110.575 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.427 ' O ' HG11 ' A' ' 74' ' ' VAL . . . -58.33 -51.15 71.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.088 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.571 ' O ' HG21 ' A' ' 74' ' ' VAL . 32.3 m-85 -60.08 -43.03 95.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.708 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 14.6 t -59.0 -37.87 77.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 74.9 mmtt -69.88 -36.13 75.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.697 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.948 HG13 ' HB ' ' A' ' 89' ' ' VAL . 5.0 m -76.1 -27.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.998 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.827 HG22 HG23 ' A' ' 74' ' ' VAL . 5.9 t -178.18 -46.45 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.708 ' HA2' ' HA ' ' A' ' 72' ' ' SER . . . 138.13 -79.28 0.3 Allowed Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.21 137.28 23.41 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.927 2.418 . . . . 0.0 111.319 173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -72.85 -12.49 61.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.68 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.87 -60.84 1.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.371 0.668 . . . . 0.0 112.397 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.621 ' HG2' ' N ' ' A' ' 81' ' ' ALA . 54.1 tttt 175.17 165.53 0.29 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.621 ' N ' ' HG2' ' A' ' 80' ' ' LYS . . . -145.82 -64.02 0.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.544 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 13.4 p -153.37 -150.64 0.34 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.627 -166.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' H ' ' HB ' ' A' ' 82' ' ' THR . 35.8 m-85 -93.6 -31.54 14.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.518 0.675 . . . . 0.0 110.076 161.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.92 -27.8 39.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.805 ' HB2' ' HB ' ' A' ' 74' ' ' VAL . 8.0 pm0 -55.47 -40.78 72.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.991 0.359 . . . . 0.0 110.325 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.69 ' HA ' HG11 ' A' ' 89' ' ' VAL . 3.3 m -67.6 -39.19 84.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.11 -44.57 83.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.415 ' HB2' HG12 ' A' ' 74' ' ' VAL . 74.9 mmtt -66.92 -56.58 9.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.355 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.948 ' HB ' HG13 ' A' ' 74' ' ' VAL . 13.8 p -63.02 -39.0 83.53 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.454 -173.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -61.69 -39.65 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 178.7 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.61 82.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.877 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.39 -38.74 88.2 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.541 HG22 ' O ' ' A' ' 89' ' ' VAL . 80.2 t -57.58 -44.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.168 175.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.81 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HB2' HD11 ' A' ' 105' ' ' ILE . 7.7 tp10 -52.11 -40.76 61.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.297 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.537 ' OD2' ' HG3' ' A' ' 97' ' ' ARG . 9.4 t70 -46.14 -70.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.225 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.537 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.3 mtm-85 -76.26 -24.33 54.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.713 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.645 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -64.77 -51.14 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.401 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.545 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.7 ttt-85 -73.47 -40.43 64.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.223 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.02 -55.4 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 m -72.79 -58.21 3.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.533 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.72 -77.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.658 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER 160.53 -52.3 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 110.859 176.38 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.88 116.87 4.81 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.351 2.034 . . . . 0.0 112.786 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.57 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 5.4 tt -59.28 -40.93 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.499 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -44.23 77.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.907 -175.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.06 -54.41 43.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.84 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.645 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 13.7 mm-40 -70.43 -38.43 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.836 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -40.86 97.53 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.169 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.57 -41.74 86.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.252 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.98 78.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.782 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 108' ' ' GLU . 98.6 mt -58.3 -49.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.922 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -61.81 -42.29 98.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.623 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.66 -47.78 74.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.445 ' HD2' HD13 ' A' ' 119' ' ' LEU . 17.7 tppt? -56.29 -55.96 26.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.362 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.685 HD11 ' HZ2' ' A' ' 19' ' ' TRP . 97.1 mt -66.24 -32.12 73.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.785 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.58 89.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.05 -17.76 28.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.316 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.445 HD13 ' HD2' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -98.52 14.47 28.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.425 0.631 . . . . 0.0 110.261 -177.397 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.738 ' H ' ' HZ3' ' A' ' 50' ' ' TRP . 33.5 m-80 . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.552 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.679 ' HB2' HG22 ' A' ' 24' ' ' VAL . 7.2 m0 -106.11 165.8 10.97 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.655 ' O ' HG21 ' A' ' 24' ' ' VAL . 3.3 t70 -91.66 155.4 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -53.54 11.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.321 0.582 . . . . 0.0 111.522 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -78.78 -39.97 34.45 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.053 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.617 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 12.6 t70 -53.32 -42.36 66.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.867 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.679 HG22 ' HB2' ' A' ' 19' ' ' TRP . 87.9 t -54.17 -51.27 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.378 0.608 . . . . 0.0 110.312 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.39 -29.09 67.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.179 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 98.4 mttt -69.64 -44.18 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.353 175.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.568 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.4 mtt180 -59.73 -40.67 88.83 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.382 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -52.73 -47.48 67.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.522 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.94 -44.26 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.27 69.52 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.688 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.51 -19.51 65.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.734 0.302 . . . . 0.0 111.107 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -70.81 -40.06 72.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.147 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -117.69 -77.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -113.25 115.02 27.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.73 -24.19 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.163 -1.017 . . . . 0.0 112.961 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.95 56.82 2.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.252 0.549 . . . . 0.0 110.625 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.33 -47.85 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.19 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -65.05 -32.64 74.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.98 128.99 54.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -65.39 -32.58 74.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.473 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.596 ' HB3' ' HD3' ' A' ' 80' ' ' LYS . 1.7 tp10 -177.67 -165.08 0.1 Allowed 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.54 108.71 17.45 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.183 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -68.97 120.97 15.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.338 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.14 58.53 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.761 -0.654 . . . . 0.0 113.417 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 82.6 tttt -57.71 -59.09 5.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.014 0.435 . . . . 0.0 110.642 178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.87 -38.47 85.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.16 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CE2' HG11 ' A' ' 89' ' ' VAL . 63.4 t80 -60.55 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.27 -39.98 80.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 111.082 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 49' ' ' LYS . 16.6 mmmt -75.96 -44.69 38.7 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.738 ' HZ3' ' H ' ' A' ' 18' ' ' ASN . 44.6 t-105 -54.01 -42.47 69.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.479 174.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.1 mm? -71.84 -44.62 63.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.729 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.55 -43.73 68.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.61 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.86 -40.25 83.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.137 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.0 70.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.054 0.454 . . . . 0.0 110.93 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.7 28.09 13.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.833 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.35 -40.49 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.183 0.516 . . . . 0.0 110.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.716 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 6.8 tt -105.55 136.88 44.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.535 ' H ' HG13 ' A' ' 62' ' ' ILE . 47.6 t0 64.62 100.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.488 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -153.38 -48.96 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.972 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -171.04 -63.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.434 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 5.92 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.716 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.535 HG13 ' H ' ' A' ' 58' ' ' ASP . 47.6 mm -86.01 114.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.373 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.6 p -124.02 163.35 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.207 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -18.94 72.97 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.4 m -70.88 -56.82 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.02 -46.77 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 111.005 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.3 p -68.21 -38.17 81.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.13 -45.83 92.16 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.419 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.69 -44.88 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.552 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' O ' HG21 ' A' ' 74' ' ' VAL . . . -58.57 -54.34 48.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.728 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -59.08 -42.81 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -56.77 -35.48 68.71 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -78.79 -35.96 43.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.171 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.856 HG23 HG23 ' A' ' 89' ' ' VAL . 93.8 t -63.59 -67.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.795 174.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.805 HG23 HG11 ' A' ' 74' ' ' VAL . 3.2 t -175.67 99.37 0.07 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.591 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.61 -53.17 45.87 Favored Glycine 0 CA--C 1.518 0.274 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.22 -171.53 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.285 1.99 . . . . 0.0 112.449 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.713 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 11.7 mptt -82.47 -10.53 58.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.55 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.621 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 14.3 tmtt? -45.42 -35.05 3.44 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.713 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 56.4 mttp 72.55 174.54 0.29 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.222 0.609 . . . . 0.0 112.021 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 1.026 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -128.21 -81.99 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.976 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.738 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 10.9 t 169.89 -154.46 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -174.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 48.2 p90 -59.28 -32.95 70.5 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.953 -0.467 . . . . 0.0 110.488 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.681 ' H ' HG23 ' A' ' 82' ' ' THR . 28.2 t70 -61.84 -34.06 75.28 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 1.026 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 21.2 tt0 -51.98 -54.62 27.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.622 174.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -49.24 69.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.807 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.533 ' CG ' ' HA ' ' A' ' 84' ' ' ASP . 1.9 ptmt -62.38 -36.08 81.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.599 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.416 ' HZ1' ' CG ' ' A' ' 84' ' ' ASP . 30.4 mttp -59.12 -50.55 73.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.153 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.856 HG23 HG23 ' A' ' 74' ' ' VAL . 4.7 t -58.67 -49.43 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.015 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.36 -35.05 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -178.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.83 58.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.44 -45.37 93.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 89' ' ' VAL . 25.8 m -64.79 -45.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.36 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.688 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.503 ' HB2' HD13 ' A' ' 105' ' ' ILE . 34.7 tt0 -60.14 -55.42 34.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.43 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 30.0 t70 -55.36 -49.18 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.481 ' HD2' ' HG3' ' A' ' 108' ' ' GLU . 0.5 OUTLIER -62.41 -47.76 82.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.759 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HB3' ' CG ' ' A' ' 108' ' ' GLU . . . -74.8 -41.46 59.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -65.98 -49.34 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.4 pt20 -73.82 -19.49 60.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.164 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -92.68 -59.42 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 110.161 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -100.73 -76.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 33.6 mttt 167.1 -58.47 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.209 1.004 . . . . 0.0 110.619 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 103' ' ' LYS . 15.9 Cg_exo -70.83 152.32 63.67 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.511 2.141 . . . . 0.0 112.636 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.503 HD13 ' HB2' ' A' ' 95' ' ' GLU . 5.1 tt -91.05 -38.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.466 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.66 23.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.254 -172.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -52.08 -50.63 61.18 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.697 0.284 . . . . 0.0 111.623 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.506 ' O ' HG13 ' A' ' 112' ' ' ILE . 29.5 mm-40 -73.67 -35.84 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.62 -45.45 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.752 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.69 -35.18 77.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.016 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.695 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -63.44 -47.49 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.4 mt -57.56 -49.29 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.365 0.602 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -59.29 -41.82 89.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.297 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.278 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 60.9 mttm -53.0 -52.02 59.73 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.53 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.739 HD23 HD11 ' A' ' 119' ' ' LEU . 91.9 mt -59.48 -40.39 86.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.527 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.23 92.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.199 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.433 ' C ' ' H ' ' A' ' 120' ' ' GLU . 93.9 mttt -75.97 -15.56 60.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.314 178.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.739 HD11 HD23 ' A' ' 116' ' ' LEU . 84.9 mt -79.78 31.68 0.25 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.653 0.263 . . . . 0.0 111.175 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.433 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.5 mp0 . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.701 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.656 ' CZ2' ' HG ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -66.51 142.21 57.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.568 0.699 . . . . 0.0 111.622 177.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.679 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 13.9 t70 -78.7 167.89 20.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.445 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -50.58 -40.5 52.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.28 -41.08 18.73 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.394 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.679 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -64.84 -39.63 93.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.625 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.79 -39.19 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.683 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 4.5 mmmp? -86.56 -49.12 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.828 177.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -59.96 -38.97 84.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.715 -175.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.1 -38.49 62.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.444 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -76.27 -44.63 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.31 -46.08 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.056 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -56.38 22.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -60.27 -27.88 67.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 0.0 111.115 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.4 m -74.22 -43.17 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.598 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -63.4 -39.85 95.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.766 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -82.98 -46.93 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.906 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.29 41.76 2.92 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.78 108.89 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.45 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.34 -16.56 13.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.966 0.413 . . . . 0.0 111.435 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -114.68 47.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.828 0.823 . . . . 0.0 109.77 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -144.89 131.87 20.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.373 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m 65.35 39.02 5.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 110.748 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.55 107.42 3.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 tpp -85.28 149.92 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.321 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.8 p -87.05 154.83 20.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.643 0.259 . . . . 0.0 110.726 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.97 -36.15 60.15 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.597 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 34.6 ttpt -61.75 -49.46 76.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -72.13 -32.25 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.674 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.575 ' HE2' HG11 ' A' ' 89' ' ' VAL . 36.7 t80 -68.32 -46.47 70.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.65 -36.05 77.73 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.548 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.774 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -71.06 -51.34 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.533 -176.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -58.22 -38.3 76.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.692 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.915 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.2 mm? -75.6 -35.85 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.728 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 19.0 ttmm -65.92 -35.92 81.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.933 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.46 -28.38 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 111.147 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.7 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.64 6.42 65.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.401 ' HB ' HD13 ' A' ' 51' ' ' LEU . 22.5 t -91.0 -35.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.399 0.618 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.915 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 9.2 tp -120.0 151.44 38.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 23.8 t70 -121.13 -94.99 0.49 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.573 ' HB2' ' O ' ' A' ' 58' ' ' ASP . 11.6 t-20 165.12 -45.73 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.812 0.695 . . . . 0.0 109.311 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -101.68 -49.05 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.796 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.46 87.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.231 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.438 HG12 ' HB3' ' A' ' 58' ' ' ASP . 47.7 mm -67.97 125.39 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.497 0.665 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 67' ' ' THR . 1.6 m -63.58 138.75 58.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.774 -176.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.68 -37.94 93.06 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.457 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.6 m -60.27 -51.76 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.085 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ttt -58.75 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.214 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 63' ' ' THR . 10.2 t -67.92 -36.64 80.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.25 97.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.268 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 65' ' ' THR . 73.4 mt -64.69 -38.25 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.699 0.285 . . . . 0.0 110.242 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.43 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.26 -52.82 63.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.45 ' O ' HG21 ' A' ' 74' ' ' VAL . 21.3 m-85 -57.93 -43.55 86.37 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.962 0.411 . . . . 0.0 111.199 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.15 -28.17 69.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.056 0.455 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.679 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -84.75 -36.14 21.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -177.086 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.926 ' HB ' ' HG2' ' A' ' 85' ' ' GLU . 34.4 m -66.76 -43.67 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 9.6 t 178.49 -22.15 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.66 -84.21 0.36 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.629 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -83.59 134.05 6.36 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.57 2.18 . . . . 0.0 112.168 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -67.08 -11.89 58.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -54.26 -35.53 62.62 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.618 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -118.41 99.62 6.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 111.258 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HA ' ' HG3' ' A' ' 85' ' ' GLU . . . -112.8 86.18 2.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.038 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -117.97 -157.98 0.69 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.723 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -39.15 -71.51 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.14 -30.86 69.19 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.926 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 15.9 tm-20 -61.24 -59.31 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.578 ' HA ' HG22 ' A' ' 89' ' ' VAL . 30.0 m -63.23 -31.73 72.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.422 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.33 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.512 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 88' ' ' LYS . 55.6 mmtt -72.86 -41.58 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.225 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.821 HG23 HG12 ' A' ' 74' ' ' VAL . 1.3 t -59.67 -58.03 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.401 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.56 -39.32 83.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.094 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.08 60.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.645 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.99 -46.45 74.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.404 0.145 . . . . 0.0 111.382 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.24 -44.73 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.62 91.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.664 ' HA ' HG21 ' A' ' 105' ' ' ILE . 32.0 tt0 -56.76 -54.12 49.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.672 ' HA ' ' HE ' ' A' ' 99' ' ' ARG . 19.7 t70 -64.57 -35.28 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.646 -174.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -74.31 -28.66 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.086 0.47 . . . . 0.0 110.034 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.533 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -83.74 -55.02 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.672 ' HE ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.87 -23.6 53.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -171.417 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.495 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 50.4 mt-30 -80.72 -52.21 7.8 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -101.6 -49.71 3.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.744 ' HG3' ' HD2' ' A' ' 104' ' ' PRO . 3.9 tppp? -92.76 -35.97 13.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -167.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.844 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 8.2 mmpt? 97.09 -70.23 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.544 1.538 . . . . 0.0 112.022 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.844 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 5.7 Cg_exo -78.15 122.84 5.88 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.965 1.776 . . . . 0.0 112.201 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.664 HG21 ' HA ' ' A' ' 95' ' ' GLU . 2.4 pp -62.97 -38.35 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.027 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -38.31 76.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.64 -44.51 93.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.414 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.44 -36.05 71.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.45 -39.73 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.37 -43.11 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.248 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.858 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 85.4 mt -63.24 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -41.14 86.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 33.5 tt0 -63.25 -40.64 98.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.492 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 57.8 tptt -50.06 -47.84 53.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.412 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.656 ' HG ' ' CZ2' ' A' ' 19' ' ' TRP . 3.0 mm? -63.21 -39.93 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 0.0 110.341 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 29.3 mtpp -69.27 -15.56 63.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.944 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 85.5 mt -90.02 27.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 177.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.465 ' CZ2' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -52.34 140.08 22.82 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.694 0.621 . . . . 0.0 111.699 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 18.0 t70 -85.35 157.7 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.964 -168.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.3 -44.71 65.2 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.844 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -39.43 17.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.479 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.605 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 1.9 t70 -50.54 -50.1 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.272 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.8 m -58.28 -32.81 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.671 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.671 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -73.95 -38.65 64.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -86.74 -43.16 12.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.42 HH22 ' HE3' ' A' ' 19' ' ' TRP . 43.8 ttp85 -79.2 -46.1 18.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.036 -174.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.644 ' HA ' ' HD2' ' A' ' 31' ' ' PHE . 2.1 t90 -65.67 -31.53 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.56 . . . . 0.0 110.11 -176.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.39 -44.07 72.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.803 175.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.26 70.54 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.229 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.644 ' HD2' ' HA ' ' A' ' 28' ' ' TRP . 39.2 m-85 -52.79 -35.29 56.51 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.081 0.467 . . . . 0.0 111.391 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.595 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 23.5 m -84.15 -41.98 16.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.365 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -84.68 -56.45 3.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -109.39 -78.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.626 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 -111.64 0.42 Allowed Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 177.09 170.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.916 0.486 . . . . 0.0 110.193 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.52 -42.89 1.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 m -79.23 -6.77 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.546 0.688 . . . . 0.0 110.289 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.77 136.01 38.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.159 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.0 m -155.56 -37.35 0.09 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.828 0.347 . . . . 0.0 111.211 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -114.62 119.86 38.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 111.405 -173.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.8 mmt -103.84 147.81 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.719 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -129.19 143.79 50.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.46 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.79 94.5 Favored Glycine 0 C--O 1.225 -0.465 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.58 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.32 -51.35 70.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.39 -46.99 77.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.93 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.83 -40.17 95.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.65 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 14.2 t70 -61.23 -29.73 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.61 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -84.79 -48.04 9.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -51.01 -44.88 61.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.093 175.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 10.1 tp -86.13 -34.05 20.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.352 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.65 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 27.9 tptt -63.18 -46.36 87.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.727 0.299 . . . . 0.0 110.223 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -70.26 -36.39 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.446 . . . . 0.0 110.567 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.94 43.34 6.4 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.138 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 t -126.55 -4.38 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.418 0.628 . . . . 0.0 110.009 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 59.2 tp -92.37 -37.09 12.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -123.1 -75.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.529 -172.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 56.98 18.28 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 73.45 -46.36 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.747 0.819 . . . . 0.0 111.766 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.51 -28.16 64.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.86 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.39 134.72 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.646 ' O ' HG23 ' A' ' 67' ' ' THR . 76.3 p -98.6 138.94 35.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.882 -172.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.36 -21.35 56.92 Favored Glycine 0 N--CA 1.453 -0.223 0 O-C-N 123.946 0.778 . . . . 0.0 112.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 t -75.04 -40.99 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.724 -0.28 . . . . 0.0 110.793 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 tpt -68.8 -53.13 23.42 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.645 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.646 HG23 ' O ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.62 -37.63 88.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.098 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.09 -45.69 95.56 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.543 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.8 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.28 89.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.7 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' HA ' HG23 ' A' ' 74' ' ' VAL . 82.7 t80 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.749 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.5 m -59.74 -27.27 66.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.305 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.36 -42.13 16.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.719 HG11 ' HB ' ' A' ' 89' ' ' VAL . 27.4 m -65.44 -30.82 51.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 111.753 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.811 HG22 ' HB1' ' A' ' 81' ' ' ALA . 13.2 p -93.54 -74.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.35 -108.87 3.25 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.907 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HD2' ' O ' ' A' ' 75' ' ' THR . 51.0 Cg_endo -68.42 -175.25 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 123.073 2.516 . . . . 0.0 113.938 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -60.77 -34.47 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.851 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -43.16 -72.27 0.06 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.902 0.751 . . . . 0.0 112.778 -169.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 16.2 mttt 171.49 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.648 0.593 . . . . 0.0 110.536 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.811 ' HB1' HG22 ' A' ' 75' ' ' THR . . . -165.29 110.81 0.91 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.888 0.851 . . . . 0.0 109.059 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.616 HG21 ' H ' ' A' ' 83' ' ' PHE . 1.2 m -76.83 177.72 7.42 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.126 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.616 ' H ' HG21 ' A' ' 82' ' ' THR . 33.9 m-85 -54.31 -32.11 55.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.903 0.481 . . . . 0.0 111.742 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.793 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 27.9 t70 -59.28 -29.38 67.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.801 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.7 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 11.1 tm-20 -48.64 -63.67 1.02 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.06 0.544 . . . . 0.0 111.315 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 m -59.33 -41.91 90.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.268 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.793 ' HE3' ' HA ' ' A' ' 84' ' ' ASP . 15.0 pttp -69.71 -35.19 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.363 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.453 ' O ' ' HD1' ' A' ' 92' ' ' PHE . 25.4 mttp -69.12 -61.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.719 ' HB ' HG11 ' A' ' 74' ' ' VAL . 12.2 p -62.33 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.587 -171.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 tp -70.13 -35.69 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.704 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -43.53 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.877 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.453 ' HD1' ' O ' ' A' ' 88' ' ' LYS . 13.5 m-85 -60.16 -46.64 89.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 89' ' ' VAL . 22.5 m -64.24 -44.9 97.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.906 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.06 74.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.225 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.415 ' N ' HD11 ' A' ' 105' ' ' ILE . 41.7 tt0 -63.35 -44.53 94.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.543 -174.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.68 -35.99 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.459 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.0 -46.46 29.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.13 35.33 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.274 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.689 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.24 -25.04 65.89 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -172.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.502 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 44.9 mt-30 -79.06 -27.42 43.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 177.363 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -97.64 -66.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.475 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.492 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 27.4 mtpt -101.11 -77.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.211 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.689 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 83.4 tttt 169.1 -60.15 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 O-C-N 123.673 0.608 . . . . 0.0 111.652 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 5.3 Cg_exo -79.57 130.78 9.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.517 2.145 . . . . 0.0 113.766 -171.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -73.34 -42.53 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.747 176.238 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.52 -41.73 97.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.282 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.2 -40.09 92.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.924 0.393 . . . . 0.0 110.794 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.478 ' O ' HG13 ' A' ' 112' ' ' ILE . 7.3 tp10 -67.4 -48.61 66.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.26 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.6 tp -65.85 -37.87 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.88 -45.86 89.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.862 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.48 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -59.49 -50.79 72.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.69 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.8 mt -54.49 -49.45 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 110.627 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 m -63.02 -44.43 95.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.546 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.7 -38.79 67.4 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.17 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 53.9 mtpt -56.83 -38.78 73.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.587 0.232 . . . . 0.0 111.171 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.465 HD12 ' CZ2' ' A' ' 19' ' ' TRP . 56.0 mt -67.98 -42.16 81.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.61 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.786 0.803 . . . . 0.0 109.81 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.519 ' C ' ' H ' ' A' ' 120' ' ' GLU . 29.0 ttpt -73.74 -15.34 61.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.617 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 tp -76.54 26.53 0.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 118' ' ' LYS . 46.5 mt-10 . . . . . 0 C--O 1.234 0.285 0 C-N-CA 123.869 0.868 . . . . 0.0 111.17 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.616 ' HB3' ' HG3' ' A' ' 120' ' ' GLU . 8.4 p30 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.551 ' HB3' HG21 ' A' ' 24' ' ' VAL . 76.0 m95 -57.02 92.32 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.234 -174.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.867 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 11.4 t70 -106.38 165.66 11.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.441 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -39.65 -47.8 2.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.269 0.557 . . . . 0.0 111.442 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.39 -40.75 16.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.348 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.867 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 10.8 t70 -64.06 -42.88 96.85 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.727 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 19' ' ' TRP . 97.8 t -59.19 -44.62 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 0.0 110.076 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.17 -31.98 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.838 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' HG3' ' HD2' ' A' ' 27' ' ' ARG . 19.0 ptpt -68.39 -40.43 81.34 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HD2' ' HG3' ' A' ' 26' ' ' LYS . 1.2 mpt_? -66.82 -44.94 79.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.434 ' CZ2' HD13 ' A' ' 90' ' ' LEU . 35.7 m0 -58.25 -42.36 86.24 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.521 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.52 -43.84 89.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.775 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.707 ' HA ' ' HD2' ' A' ' 34' ' ' PHE . . . -51.21 -43.59 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.657 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -59.94 -61.5 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 111.511 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.5 t -70.35 -40.36 74.11 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -171.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 4.0 ttmp? -81.9 -46.21 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.707 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 89.3 m-85 -98.12 -57.58 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.56 . . . . 0.0 110.794 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' O ' ' HB1' ' A' ' 36' ' ' ALA . . . 158.31 -48.63 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 35' ' ' GLY . . . 169.58 148.94 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 123.711 0.804 . . . . 0.0 109.024 176.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.75 -56.35 4.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -153.68 86.95 1.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.826 0.822 . . . . 0.0 109.776 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.41 75.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.25 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.5 t -81.14 -21.3 39.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.123 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.32 145.94 34.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.553 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.2 tpp -144.43 87.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.172 0.51 . . . . 0.0 109.755 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.752 HG21 ' HG2' ' A' ' 78' ' ' LYS . 1.2 p -87.26 159.85 18.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.059 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.84 -47.49 78.62 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 114.348 -171.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.4 ttpt -73.13 -35.41 66.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.217 0.509 . . . . 0.0 111.155 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.59 -35.69 75.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.756 0.312 . . . . 0.0 110.665 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -69.9 -36.5 75.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.433 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 9.9 t70 -59.77 -28.28 67.26 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.392 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 94.6 mttt -72.22 -46.45 56.03 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -59.89 -36.56 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.221 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.867 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 4.1 mm? -79.91 -54.5 5.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.732 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.552 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 7.4 tmtt? -71.27 -46.3 61.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.552 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -75.35 -22.03 57.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.948 0.404 . . . . 0.0 111.031 -171.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.68 ' HB2' HD22 ' A' ' 116' ' ' LEU . . . -75.01 -34.03 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.29 13.13 9.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.555 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.67 -49.99 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.152 0.501 . . . . 0.0 110.104 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.867 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 19.6 tp -82.88 86.6 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.315 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.637 ' HB3' HG12 ' A' ' 62' ' ' ILE . 16.3 t70 -77.56 -35.35 53.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.848 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 60.9 t30 69.69 -46.62 0.59 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.989 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.99 -59.96 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.027 0.441 . . . . 0.0 110.238 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.53 -4.16 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.301 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.637 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.9 mm -100.99 131.6 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 110.05 15.79 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.821 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.74 -16.18 67.62 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.485 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -71.7 -49.01 43.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.41 ' HG2' ' HB2' ' A' ' 96' ' ' ASP . 14.8 tpt -75.15 -47.83 26.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.238 0.542 . . . . 0.0 110.356 -178.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.503 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 75.5 p -70.46 -37.89 74.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.469 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.72 95.39 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.426 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.6 mt -68.22 -39.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.93 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.667 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 67' ' ' THR . 35.3 m-85 -55.84 -44.9 78.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.446 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 m -69.49 -36.32 76.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.802 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -72.39 -30.69 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.324 0.583 . . . . 0.0 110.272 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 1.095 HG22 ' HB ' ' A' ' 89' ' ' VAL . 31.7 t -71.62 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.074 175.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.57 ' O ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 p -76.36 -77.32 0.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.401 -175.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.12 -98.54 2.25 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.57 ' HD2' ' O ' ' A' ' 75' ' ' THR . 23.4 Cg_endo -62.4 159.78 34.35 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.483 2.122 . . . . 0.0 111.569 169.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.752 ' HG2' HG21 ' A' ' 43' ' ' THR . 25.8 ttpt -78.05 -13.96 59.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.186 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD3' ' HB2' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -53.75 -60.85 2.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.139 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' HG2' ' N ' ' A' ' 81' ' ' ALA . 34.3 ttmt -167.62 167.49 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 0.0 110.751 -171.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.487 ' N ' ' HG2' ' A' ' 80' ' ' LYS . . . -109.87 92.02 3.88 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 170.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.505 HG21 ' OE1' ' A' ' 85' ' ' GLU . 3.9 t -60.39 -177.52 0.07 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.378 -1.283 . . . . 0.0 112.89 -173.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -48.13 -71.59 0.07 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -162.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.506 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 16.3 t70 -72.04 -30.43 65.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.004 0.43 . . . . 0.0 110.383 -174.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.698 ' HB3' HG12 ' A' ' 74' ' ' VAL . 4.7 mp0 -48.46 -54.61 13.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.298 174.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.8 m -58.69 -39.15 79.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.169 0.509 . . . . 0.0 111.005 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -63.86 -40.77 97.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.677 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.506 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 69.0 mttm -60.23 -55.45 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.23 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 1.095 ' HB ' HG22 ' A' ' 74' ' ' VAL . 7.7 p -59.88 -45.57 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.809 -172.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD13 ' CZ2' ' A' ' 28' ' ' TRP . 20.8 mt -64.85 -32.44 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.768 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -46.24 54.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.47 -44.06 92.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.621 0.248 . . . . 0.0 111.631 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.16 -45.45 98.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.37 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.31 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.67 ' HG3' HG22 ' A' ' 105' ' ' ILE . 42.8 tt0 -55.75 -49.0 74.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.895 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HB2' ' HG2' ' A' ' 66' ' ' MET . 36.0 t70 -61.44 -51.32 69.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.62 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 97' ' ' ARG . 19.7 ttt180 -58.92 -42.94 90.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.719 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.614 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -62.46 -53.65 51.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.619 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 62.9 mtm180 -63.69 -26.47 68.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.193 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.43 -45.24 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 t -74.2 -75.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.827 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 103' ' ' LYS . 40.7 ttmt -101.81 -76.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 63.8 pttt 170.12 -40.27 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.191 0.932 . . . . 0.0 111.828 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.506 ' HD3' ' CG ' ' A' ' 103' ' ' LYS . 1.2 Cg_endo -85.1 128.57 3.69 Favored 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 122.41 2.073 . . . . 0.0 111.842 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.67 HG22 ' HG3' ' A' ' 95' ' ' GLU . 1.7 pp -68.28 -38.35 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.38 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.93 83.73 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.35 -45.13 76.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.108 0.48 . . . . 0.0 111.111 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -67.36 -43.89 80.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.36 -34.13 77.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.04 0.448 . . . . 0.0 110.331 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' HG3' ' A' ' 114' ' ' GLU . 9.4 t70 -60.36 -46.04 91.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.739 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.75 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.1 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 92.6 mt -66.78 -42.68 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.632 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -62.82 -45.72 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 110' ' ' ASP . 51.2 mt-10 -61.49 -40.22 93.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.553 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 58.5 tptt -49.37 -53.1 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.366 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.68 HD22 ' HB2' ' A' ' 54' ' ' ALA . 62.4 mt -73.35 -32.45 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.62 97.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.234 0.54 . . . . 0.0 110.426 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -82.08 -17.78 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.426 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.409 HD13 ' HE3' ' A' ' 115' ' ' LYS . 12.2 mt -94.29 30.22 2.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.38 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.616 ' HG3' ' HB3' ' A' ' 18' ' ' ASN . 37.9 tt0 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 124.543 1.152 . . . . 0.0 112.384 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 113' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.761 0.791 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 t70 -68.88 159.27 32.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -45.0 -51.47 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.4 0.619 . . . . 0.0 111.276 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.09 -39.67 60.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.701 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' N ' ' A' ' 20' ' ' ASP . 17.4 t70 -58.0 -39.34 78.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.914 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 20' ' ' ASP . 84.5 t -52.83 -45.48 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.095 0.474 . . . . 0.0 110.43 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -68.24 -41.14 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.278 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -58.26 -54.35 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.451 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -65.15 -38.3 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.659 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.594 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 4.2 m0 -67.12 -53.82 27.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 111.021 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.83 -43.08 76.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.291 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.51 9.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 83' ' ' PHE . 53.9 m-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.678 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.85 154.75 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.943 0.777 . . . . 0.0 111.269 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.41 -36.5 38.08 Favored Glycine 0 C--O 1.226 -0.403 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.101 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 31.4 ttpt -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.137 0.494 . . . . 0.0 110.821 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.61 -36.57 57.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.222 -175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -70.21 -40.21 74.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.647 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.334 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -45.19 60.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.792 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -53.77 -35.58 61.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.542 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.1 mm? -79.67 -49.21 12.45 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 83.8 mttt -70.52 -33.99 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.26 -26.36 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.324 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.29 -30.73 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.91 4.48 58.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.314 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 93' ' ' VAL . 38.9 t -83.51 -50.74 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.296 0.57 . . . . 0.0 109.927 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 7.3 tt -107.12 92.4 4.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.06 -33.69 50.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.667 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 8.8 t-20 60.76 28.49 18.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 122.28 1.038 . . . . 0.0 109.389 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -122.98 -48.36 2.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.299 -174.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.32 -19.55 6.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.5 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -64.8 164.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.471 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.9 p -74.84 152.41 38.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.44 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.9 -22.84 40.71 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 172.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -61.43 -58.88 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.847 -0.676 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -46.66 73.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.3 p -67.07 -51.34 55.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.089 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.7 86.5 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.713 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.69 -30.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.521 0.201 . . . . 0.0 110.61 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.62 -57.91 10.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.513 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.49 -43.92 93.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.019 0.438 . . . . 0.0 110.937 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -59.91 -27.06 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.441 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -93.9 -47.69 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.567 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.791 HG11 ' HB ' ' A' ' 89' ' ' VAL . 34.0 m -67.2 -58.71 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.506 ' N ' HG23 ' A' ' 74' ' ' VAL . 40.5 p -88.95 -54.91 3.91 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.74 -0.6 . . . . 0.0 111.056 -175.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -172.725 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' OE2' ' A' ' 85' ' ' GLU . 14.2 t . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 28' ' ' TRP . 89.6 t80 -44.1 -61.05 1.61 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD2' ' HE2' ' A' ' 88' ' ' LYS . 16.0 t0 -58.68 -52.65 64.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.391 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 82' ' ' THR . 1.9 mp0 -55.62 -37.5 68.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.5 m -68.06 -42.58 80.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.257 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -71.99 -27.15 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.519 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 84' ' ' ASP . 68.5 mttm -62.39 -56.37 18.93 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.791 ' HB ' HG11 ' A' ' 74' ' ' VAL . 7.1 p -64.54 -41.18 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.351 -174.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.594 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 34.9 mt -60.63 -35.76 76.97 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.911 0.386 . . . . 0.0 110.303 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.94 -44.34 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -62.2 -45.72 92.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.679 0.276 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 56' ' ' VAL . 61.1 t -63.97 -44.42 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.895 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.5 96.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.677 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' A' ' 99' ' ' ARG . 43.6 tt0 -61.77 -36.3 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.268 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 8.9 t70 -36.89 -64.88 0.32 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.005 0.815 . . . . 0.0 112.513 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.6 mtm180 -95.25 -29.3 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -61.5 -44.4 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.899 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -73.63 -25.62 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.665 -174.202 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 78.6 mt-30 -64.84 -47.93 76.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 111.259 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -97.3 -55.36 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.721 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 69.7 tttt -90.92 -47.29 7.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.673 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.899 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 54.6 mtpt 105.28 -52.27 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 125.755 1.622 . . . . 0.0 113.774 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.43 120.82 8.68 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.831 1.688 . . . . 0.0 112.596 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -40.08 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.197 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -54.81 -32.52 60.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.327 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.93 -48.39 80.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.9 tp10 -75.5 -31.23 60.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.618 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.31 -48.36 81.73 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.833 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.25 -39.76 79.99 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB1' ' HE3' ' A' ' 115' ' ' LYS . . . -60.36 -52.08 66.78 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.496 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 108' ' ' GLU . 95.0 mt -51.53 -53.11 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.046 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 19' ' ' TRP . 3.7 m -59.65 -42.2 92.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.506 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.93 -40.83 78.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.261 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HE3' ' HB1' ' A' ' 111' ' ' ALA . 87.7 mttt -61.27 -57.52 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.877 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 119' ' ' LEU . 95.1 mt -66.72 -16.26 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.039 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.84 83.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.966 0.412 . . . . 0.0 110.587 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -103.65 -17.21 15.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.393 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.596 ' HB3' ' HA ' ' A' ' 116' ' ' LEU . 15.5 tp -85.08 17.39 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.417 178.647 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.468 ' CD2' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 112.231 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' VAL . 12.7 t70 -79.9 151.65 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.1 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.664 ' HB2' ' HB2' ' A' ' 117' ' ' ALA . 26.4 t70 -45.48 -52.86 9.67 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.616 0.572 . . . . 0.0 111.846 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.2 80.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.469 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.12 -39.37 94.5 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.06 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 20' ' ' ASP . 82.7 t -51.34 -55.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -64.03 -40.79 97.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.374 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -68.35 -41.03 81.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -53.4 -46.64 69.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.607 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -62.81 -46.59 87.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.25 -44.28 88.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.84 75.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.864 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 111.038 -178.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 13.5 tpt . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 p -70.2 123.49 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.607 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.3 18.67 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.592 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -61.54 -39.77 92.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.053 0.454 . . . . 0.0 111.062 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.33 -33.59 74.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.686 ' HE2' HG11 ' A' ' 89' ' ' VAL . 14.7 t80 -71.91 -36.49 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.887 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.54 -41.27 72.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.171 0.51 . . . . 0.0 110.548 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -75.78 -45.41 36.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -55.18 -38.76 68.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.378 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.963 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 2.5 mm? -75.72 -36.16 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -72.41 -42.23 65.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.041 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.55 -45.37 83.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.778 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.12 67.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.721 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.93 17.5 35.0 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.356 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.48 -36.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 110.441 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.963 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 21.3 tp -86.65 97.1 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.74 -56.06 4.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.031 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 m-20 64.57 9.11 4.84 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -103.45 -49.11 3.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.46 -11.52 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.623 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 66.2 mt -103.91 120.98 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.265 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 67' ' ' THR . 12.5 p -115.67 -178.98 3.52 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.35 -29.73 23.73 Favored Glycine 0 C--N 1.332 0.351 0 CA-C-N 114.862 -1.063 . . . . 0.0 114.227 -175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -70.78 -34.05 71.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.546 0.673 . . . . 0.0 111.456 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.23 -57.28 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.152 0.501 . . . . 0.0 109.982 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -63.34 -37.4 87.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.437 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.36 -46.74 89.75 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.836 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.49 -44.09 98.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.736 0.303 . . . . 0.0 110.495 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.14 -50.59 72.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.328 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' HA ' HG22 ' A' ' 74' ' ' VAL . 75.9 t80 -58.99 -43.72 91.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.034 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 m -59.3 -30.85 68.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.447 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -83.21 -39.35 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 89' ' ' VAL . 13.5 m -73.26 -24.7 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.634 HG23 HG23 ' A' ' 74' ' ' VAL . 25.5 p -130.02 -86.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -174.249 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 8.9 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.36 -34.72 69.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.053 0.388 . . . . 0.0 110.553 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 82' ' ' THR . 15.0 t70 -54.57 -49.81 69.46 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.949 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.3 tt0 -44.5 -53.71 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.051 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.9 m -61.15 -52.22 65.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.003 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.52 68.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.61 0.243 . . . . 0.0 111.137 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' CB ' HG12 ' A' ' 74' ' ' VAL . 29.6 mmtp -65.14 -46.33 81.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.669 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.686 HG11 ' HE2' ' A' ' 47' ' ' PHE . 29.7 t -57.95 -50.69 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.779 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.96 -36.45 72.6 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' GLU . . . -69.74 -40.16 76.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -75.15 -40.6 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 89' ' ' VAL . 21.2 m -64.4 -44.64 97.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.724 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.59 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.82 ' HG2' HG21 ' A' ' 105' ' ' ILE . 1.1 tm-20 -49.67 -61.07 2.33 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.713 0.633 . . . . 0.0 110.416 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.97 -41.4 82.84 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.685 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.802 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -66.27 -50.37 63.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -69.8 -35.44 74.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 35.2 ttp180 -60.0 -38.77 83.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.5 -20.65 27.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 t -80.94 -76.19 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.431 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -100.99 -76.03 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.742 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 20.5 mtpt 173.04 -54.18 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 125.079 1.351 . . . . 0.0 109.204 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 55.7 Cg_endo -72.17 133.37 21.11 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.054 1.836 . . . . 0.0 112.309 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.82 HG21 ' HG2' ' A' ' 95' ' ' GLU . 19.4 pt -75.15 -38.3 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -52.12 -27.93 15.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.46 -56.12 26.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.744 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 7.3 tp10 -66.42 -32.08 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.13 -51.1 65.32 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.675 ' HA ' ' OG1' ' A' ' 113' ' ' THR . 28.7 t70 -69.04 -26.81 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.144 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.56 -44.46 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.103 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.81 -49.95 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.51 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.675 ' OG1' ' HA ' ' A' ' 110' ' ' ASP . 22.3 p -58.89 -42.36 89.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.671 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 26.9 tt0 -65.18 -45.34 85.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 31.4 ttpt -58.61 -46.9 86.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 19' ' ' TRP . 25.7 mt -59.04 -50.21 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.016 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . . . -57.35 -38.63 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.533 -176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 22.4 ptmt -90.29 -12.68 37.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.633 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.649 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 14.2 tp -76.17 18.89 0.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -170.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.986 0.422 . . . . 0.0 110.369 -174.744 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.961 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.588 0.708 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.644 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 27.2 t70 -96.57 166.24 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.115 -173.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -35.17 -61.9 0.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.2 1.0 . . . . 0.0 112.664 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.871 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 34.5 t70 -55.92 -39.22 71.32 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.784 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' ASP . 94.0 t -57.04 -59.51 3.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.36 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.92 -22.3 64.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.399 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 10.3 mtpm? -54.07 -44.65 71.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 175.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -72.51 -41.65 65.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.641 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 2.2 m95 -59.15 -40.41 85.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.547 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.28 -44.82 90.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.88 71.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 111.36 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.486 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -73.49 124.17 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.224 0.535 . . . . 0.0 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.85 -23.43 77.95 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.858 -175.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -68.87 -38.26 79.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.104 0.478 . . . . 0.0 109.9 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.76 -38.53 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 86' ' ' THR . 72.1 t80 -65.42 -41.12 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.79 -37.79 77.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.278 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -74.91 -45.52 42.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.854 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.42 ' HD1' HD22 ' A' ' 51' ' ' LEU . 72.3 t-105 -51.93 -32.3 32.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.282 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.9 mm? -92.57 -36.26 13.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.893 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 60.1 tttm -73.12 -44.66 59.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.718 0.294 . . . . 0.0 111.225 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.89 -33.41 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.389 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.81 68.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.075 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.31 -2.74 59.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.393 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.2 t -76.91 -44.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.383 0.611 . . . . 0.0 109.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -107.81 83.41 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.877 174.073 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.873 ' HB3' HG12 ' A' ' 62' ' ' ILE . 11.4 t70 -54.58 -40.7 69.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.828 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 t30 70.55 -6.28 1.24 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.039 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -110.68 -54.52 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.19 0.519 . . . . 0.0 110.13 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.15 19.69 20.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.446 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.873 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.5 mm -89.8 127.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.444 0.64 . . . . 0.0 110.345 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 3.1 m -61.28 144.51 53.74 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.649 -177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.12 -25.21 61.86 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.658 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -55.9 -40.72 73.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.206 0.527 . . . . 0.0 110.71 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 63' ' ' THR . 1.9 mpt? -85.35 -59.2 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.025 -178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -66.74 -44.38 81.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.593 -173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.72 -50.02 64.53 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.41 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.03 -40.29 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.595 0.197 . . . . 0.0 110.649 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.76 -56.5 19.79 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.977 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.589 ' HA ' HG22 ' A' ' 74' ' ' VAL . 44.4 m-85 -61.55 -44.03 97.78 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.26 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.6 m -57.35 -27.81 62.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.127 -0.358 . . . . 0.0 111.817 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -83.35 -29.29 28.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.589 HG22 ' HA ' ' A' ' 71' ' ' PHE . 33.7 m -99.95 -39.83 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 t 174.24 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 108.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.994 177.784 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 11.4 t . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 69.2 t80 -62.95 -32.9 74.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.225 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.4 -44.06 68.4 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -59.14 -61.14 2.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.005 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.573 HG23 ' CE1' ' A' ' 47' ' ' PHE . 30.2 m -50.13 -48.72 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.744 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 83' ' ' PHE . 13.9 ptmm? -64.59 -36.44 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.706 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HB2' HG12 ' A' ' 74' ' ' VAL . 57.9 mtmt -74.25 -41.99 60.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.258 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 85' ' ' GLU . 31.0 t -58.76 -55.23 24.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.732 0.301 . . . . 0.0 110.565 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 36.4 mt -60.22 -44.95 94.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.355 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.44 77.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.7 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -70.74 -51.72 25.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.637 0.256 . . . . 0.0 111.022 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.62 -45.67 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.756 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.15 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HA ' HG13 ' A' ' 105' ' ' ILE . 36.8 tt0 -59.13 -68.43 0.27 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.586 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 2.2 t70 -64.91 -33.05 75.11 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.1 0.25 . . . . 0.0 111.433 -170.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -56.35 -50.74 70.65 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -74.62 -43.62 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.382 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.652 ' HB3' ' HA ' ' A' ' 96' ' ' ASP . 59.8 ttt180 -45.46 -49.46 13.44 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.99 0.916 . . . . 0.0 112.273 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -73.89 -40.55 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.864 0.364 . . . . 0.0 111.494 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -93.49 -60.08 1.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.578 ' C ' ' HD2' ' A' ' 104' ' ' PRO . 91.8 mttt -96.69 -41.41 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.94 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 51.2 mtpt 103.07 -64.31 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.993 1.717 . . . . 0.0 112.017 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 37.8 Cg_endo -66.72 108.16 1.4 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.673 1.582 . . . . 0.0 113.195 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.59 -40.52 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.694 178.26 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.91 -39.51 74.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.176 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.17 -40.04 90.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.834 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 10.6 tp10 -63.98 -44.56 92.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.8 -41.67 99.38 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.42 -40.48 94.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.28 94.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.76 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 108' ' ' GLU . 94.1 mt -59.12 -49.4 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.9 m -57.22 -48.57 78.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.558 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -38.93 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.678 0.275 . . . . 0.0 111.0 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -59.7 -42.17 92.4 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.961 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 46.0 mt -59.81 -38.41 81.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.97 84.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.453 0.644 . . . . 0.0 110.379 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.36 -16.9 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.925 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt -98.99 16.19 23.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.992 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.47 0.534 0 O-C-N 124.332 1.02 . . . . 0.0 112.671 178.81 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.495 ' CG ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.25 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 m-20 -60.35 148.19 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.812 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -49.6 -47.1 49.76 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.744 0.783 . . . . 0.0 110.811 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -39.4 58.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.176 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' CB ' ' HB2' ' A' ' 20' ' ' ASP . 30.9 t70 -60.13 -39.85 87.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.72 -175.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' ASP . 34.3 t -47.8 -59.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.489 0.493 . . . . 0.0 110.836 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 43.8 tptt -66.36 -44.71 82.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.675 -177.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 6.3 ttpm? -54.39 -42.99 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.187 0.518 . . . . 0.0 110.985 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 19' ' ' TRP . 3.1 ttp180 -79.63 -47.33 15.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.593 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.79 -45.58 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.237 0.542 . . . . 0.0 111.032 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.8 t70 -64.73 -43.75 92.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.668 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.173 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 83' ' ' PHE . 18.3 m-85 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.552 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 C--O 1.233 0.231 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -99.19 160.56 14.18 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.855 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -50.83 61.65 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.054 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -54.58 -33.98 61.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.977 0.388 . . . . 0.0 112.022 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.98 -29.02 61.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.633 0.254 . . . . 0.0 111.083 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 89' ' ' VAL . 16.8 t80 -87.71 -39.58 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.229 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -23.48 65.87 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.284 0.564 . . . . 0.0 109.698 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -68.29 -50.04 56.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.515 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -61.84 -38.59 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.38 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.4 mm? -70.45 -42.14 71.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.562 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 12.3 tmtt? -73.75 -51.82 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -73.7 -22.23 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.459 -169.256 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.28 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.291 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.46 19.33 18.61 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.613 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.3 t -93.8 -46.11 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.748 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 4.9 tp -93.02 28.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.339 0.59 . . . . 0.0 110.446 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.16 69.87 0.15 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.676 0.75 . . . . 0.0 109.485 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.627 ' OD1' ' HG2' ' A' ' 60' ' ' LYS . 29.0 t-20 -103.23 -69.02 0.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.452 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.627 ' HG2' ' OD1' ' A' ' 59' ' ' ASN . 59.8 pttt 177.54 -48.73 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.518 0.675 . . . . 0.0 109.822 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.74 57.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.107 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.16 113.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.678 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.4 p -80.22 -178.58 6.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.242 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.17 -9.51 21.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.25 -59.9 2.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.912 -0.644 . . . . 0.0 110.572 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -60.53 -45.87 92.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -64.37 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.834 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.2 99.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.172 -0.537 . . . . 0.0 111.997 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -55.87 -48.61 75.26 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.473 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -56.5 -43.8 80.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.171 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.5 m -67.27 -32.32 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.462 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.21 -25.7 60.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.121 0.486 . . . . 0.0 110.751 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.094 HG13 ' HB3' ' A' ' 85' ' ' GLU . 73.0 t -89.78 -63.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.503 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.642 HG23 HG12 ' A' ' 74' ' ' VAL . 21.4 p -111.73 29.24 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 174.571 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 p . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.337 0.113 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB2' ' HB3' ' A' ' 31' ' ' PHE . 19.2 p90 -58.01 -46.25 85.58 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.95 -37.46 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.684 . . . . 0.0 110.184 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 1.094 ' HB3' HG13 ' A' ' 74' ' ' VAL . 6.5 mp0 -66.51 -47.04 74.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.485 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.2 m -58.63 -41.37 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.19 0.519 . . . . 0.0 110.476 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.6 -43.32 93.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.408 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -64.22 -44.39 92.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.803 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 74' ' ' VAL . 20.1 t -58.58 -57.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.907 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.06 -34.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.94 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.411 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -72.11 -38.66 69.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.01 -44.47 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.17 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.527 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.724 ' HA ' HG22 ' A' ' 105' ' ' ILE . 1.3 tm-20 -49.92 -45.8 51.37 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.377 0.671 . . . . 0.0 111.677 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.31 -56.76 9.89 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.087 0.47 . . . . 0.0 110.582 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.2 ttt180 -70.16 -46.68 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.248 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -59.38 -45.57 91.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 18.8 ttm180 -60.77 -36.09 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -91.43 -10.45 40.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.67 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 m -100.45 -65.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.217 0.532 . . . . 0.0 110.56 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 28.3 mmtp -101.7 -76.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.492 0.663 . . . . 0.0 109.284 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 88.3 tttt 163.16 -54.89 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.703 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 3.9 Cg_exo -78.37 150.66 25.55 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.547 2.165 . . . . 0.0 111.6 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.7 pp -76.53 -38.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.578 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.56 -41.07 63.24 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.466 -175.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -57.22 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 111.605 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 37.3 mm-40 -77.5 -31.35 53.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.292 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.25 -40.82 94.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.73 -39.8 95.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.618 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.25 93.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.67 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.8 mt -58.78 -49.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.294 0.568 . . . . 0.0 110.762 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.9 m -59.32 -46.63 88.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.82 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -67.02 -40.83 87.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.73 -0.213 . . . . 0.0 111.118 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -58.93 -39.15 80.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.598 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 98.3 mt -71.84 -36.95 70.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.013 0.435 . . . . 0.0 110.848 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.18 87.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.502 0.668 . . . . 0.0 109.652 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.429 ' HB2' ' HE2' ' A' ' 118' ' ' LYS . 8.0 tppt? -67.41 -19.07 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.973 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 25.7 tp -80.57 19.27 0.82 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.413 -174.078 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.405 0.622 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.3 m-20 -79.01 172.95 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.414 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -48.66 -60.32 2.81 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.755 0.66 . . . . 0.0 112.073 -176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.07 32.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.228 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.1 t70 -56.06 -45.02 79.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.295 -175.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 19' ' ' TRP . 8.4 p -62.02 -46.19 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.373 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.82 -40.11 91.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -67.94 -42.48 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.938 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.2 mtt180 -68.63 -40.36 80.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.535 0.207 . . . . 0.0 111.137 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -66.39 -40.78 89.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.327 0.584 . . . . 0.0 109.793 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.43 -41.76 93.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.373 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -45.41 -40.95 8.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.534 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.406 178.072 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 55.0 tpp . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.6 p -101.61 143.54 31.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.723 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.5 -29.76 61.15 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.554 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.4 -58.14 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 0.0 110.763 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.07 -36.84 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 89' ' ' VAL . 11.6 t80 -69.45 -41.09 76.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.728 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.02 -39.87 79.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.206 0.527 . . . . 0.0 110.986 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -78.05 -42.38 32.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.053 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.456 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 53.2 t-105 -51.86 -38.56 56.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.5 mm? -75.46 -37.53 60.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.621 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -56.14 -56.42 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -23.64 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.767 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.21 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.844 0.354 . . . . 0.0 110.373 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.1 0.68 57.16 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.113 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -82.4 -24.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.229 0.537 . . . . 0.0 110.274 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.879 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 15.7 tp -79.38 -165.93 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.049 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.879 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 24.7 t70 -63.66 82.15 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.276 1.036 . . . . 0.0 111.51 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.428 ' OD1' ' HG3' ' A' ' 60' ' ' LYS . 25.3 t-20 -70.41 -43.24 70.42 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.284 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 65.3 mttp -134.47 -78.71 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -177.283 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 69.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.731 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.505 HD11 HH11 ' A' ' 97' ' ' ARG . 9.1 mt -91.6 128.18 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.21 0.529 . . . . 0.0 110.026 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 67' ' ' THR . 0.7 OUTLIER -57.92 110.75 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.367 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' OG1' ' A' ' 67' ' ' THR . . . -63.46 -30.7 78.38 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.696 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 t -62.46 -36.44 82.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.798 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.429 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 67.5 mtt -84.39 -45.6 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 63' ' ' THR . 65.7 p -60.29 -36.29 77.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.562 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.42 78.9 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.315 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 73.0 mt -60.06 -51.68 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 74' ' ' VAL . . . -55.77 -42.54 75.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.242 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.6 -43.25 89.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.78 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 m -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 73.7 mmtt -74.8 -42.03 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.228 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.799 HG23 ' HA ' ' A' ' 85' ' ' GLU . 2.5 p -70.11 -57.94 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.853 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.697 HG22 HG22 ' A' ' 74' ' ' VAL . 10.9 t 177.02 115.55 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.35 0.595 . . . . 0.0 111.304 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.998 168.004 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 84' ' ' ASP . 11.1 t . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 110.801 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 82' ' ' THR . 14.4 m-20 -61.31 -28.13 68.98 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.956 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.799 ' HA ' HG23 ' A' ' 74' ' ' VAL . 6.9 tm-20 -41.75 -72.84 0.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.587 0.755 . . . . 0.0 112.026 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -59.92 -38.52 82.58 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.364 0.602 . . . . 0.0 111.17 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -59.41 -46.91 87.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.375 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HE3' ' HB3' ' A' ' 84' ' ' ASP . 97.8 mttt -70.93 -47.67 57.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.634 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 85' ' ' GLU . 40.3 t -56.67 -52.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.5 mt -59.25 -41.66 89.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.888 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.9 54.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 88' ' ' LYS . 44.5 m-85 -75.3 -42.42 54.71 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.538 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.85 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.827 ' HG3' HG21 ' A' ' 105' ' ' ILE . 37.9 tt0 -59.0 -60.12 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 66' ' ' MET . 3.3 m-20 -62.03 -38.94 90.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.024 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.505 HH11 HD11 ' A' ' 62' ' ' ILE . 2.2 mmm180 -55.17 -51.59 66.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.088 175.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -72.31 -46.89 53.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.397 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.5 ttp-105 -54.16 -34.23 59.94 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.596 0.56 . . . . 0.0 111.177 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.11 -31.67 44.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.148 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 m -100.58 -75.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.72 -36.22 21.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.222 -176.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 63.4 mttp 101.9 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.227 1.811 . . . . 0.0 111.867 -173.252 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 27.2 Cg_exo -64.71 117.4 4.47 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.624 1.55 . . . . 0.0 111.674 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.827 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.5 pp -65.92 -38.92 83.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.977 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -59.02 -26.96 65.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 102' ' ' LYS . 35.2 t70 -63.25 -35.83 81.63 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.0 0.187 . . . . 0.0 111.198 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 112' ' ' ILE . 15.6 mm-40 -70.74 -40.79 72.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.922 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.42 -39.91 95.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.01 -49.49 76.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.244 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.54 86.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.244 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 95.1 mt -58.87 -54.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.573 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -42.36 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.963 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.83 -44.81 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.566 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 13.3 mptt -61.99 -44.07 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.583 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 112' ' ' ILE . 84.7 mt -64.61 -41.93 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.79 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.228 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 120' ' ' GLU . 12.3 ptmm? -88.31 -12.4 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.16 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 17.4 tp -69.1 32.05 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.274 0.63 . . . . 0.0 112.325 -175.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.6 mp0 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.859 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.81 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 8.5 t70 -142.89 166.13 25.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.85 -48.24 8.3 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.028 0.531 . . . . 0.0 111.733 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -40.25 16.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 110.701 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.81 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -55.91 -39.2 71.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.208 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' ASP . 97.2 t -54.72 -53.5 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.068 0.461 . . . . 0.0 110.819 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -64.42 -37.16 86.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.96 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.05 -50.28 73.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.096 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 69.2 mtt180 -59.58 -45.33 92.18 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.226 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -57.02 -40.79 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.57 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.43 -43.96 13.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.439 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -55.56 21.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.415 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.467 0.418 0 O-C-N 123.339 0.399 . . . . 0.0 111.988 -174.786 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -61.71 149.0 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.84 94.0 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.672 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 48' ' ' ASP . 32.1 ttpt -74.98 -20.18 59.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -71.79 -46.88 56.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 86.3 t80 -63.74 -44.48 93.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.046 174.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 10.9 t70 -55.05 -41.79 71.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.521 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.814 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 53.6 tttm -79.12 -48.07 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.396 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.487 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 20.3 t-105 -54.89 -34.06 62.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.358 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -81.28 -36.93 29.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.992 -177.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 46.8 pttt -81.62 -33.22 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.353 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -42.43 94.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.35 78.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.683 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.6 24.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.459 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.15 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.214 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' CB ' ' HB3' ' A' ' 51' ' ' LEU . 5.8 tp -119.45 163.49 17.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.3 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.836 ' H ' HG13 ' A' ' 62' ' ' ILE . 8.9 t70 51.95 76.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.152 0.907 . . . . 0.0 111.227 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -164.65 70.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.39 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm 74.7 -59.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.86 0.864 . . . . 0.0 111.841 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 6.07 12.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.261 -174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.836 HG13 ' H ' ' A' ' 58' ' ' ASP . 41.6 mm -95.35 101.17 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.567 0.698 . . . . 0.0 110.028 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -104.22 -152.51 0.46 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.793 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.12 -28.82 4.8 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 69' ' ' ILE . 5.8 t -77.29 -47.36 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.681 -0.305 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.2 mtp -61.33 -46.36 90.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.444 HG21 HG23 ' A' ' 62' ' ' ILE . 81.2 p -75.37 -39.3 59.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.846 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.62 -43.95 94.12 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.591 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 85.1 mt -58.55 -48.33 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.531 0.205 . . . . 0.0 110.575 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -58.33 -51.15 71.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.088 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.582 ' O ' HG22 ' A' ' 74' ' ' VAL . 32.3 m-85 -60.08 -43.03 95.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.715 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 14.6 t -59.0 -37.87 77.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 74.9 mmtt -69.88 -36.13 75.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.697 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.965 HG11 ' HB ' ' A' ' 89' ' ' VAL . 5.0 m -76.1 -27.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.998 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.843 HG22 HG23 ' A' ' 74' ' ' VAL . 5.9 t -178.18 -46.45 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' A' ' 72' ' ' SER . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -174.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.716 0.293 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -93.6 -31.54 14.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.518 0.675 . . . . 0.0 110.076 161.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.92 -27.8 39.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.858 ' HB2' ' HB ' ' A' ' 74' ' ' VAL . 8.0 pm0 -55.47 -40.78 72.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.991 0.359 . . . . 0.0 110.325 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.712 ' HA ' HG12 ' A' ' 89' ' ' VAL . 3.3 m -67.6 -39.19 84.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.11 -44.57 83.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HB2' HG12 ' A' ' 74' ' ' VAL . 74.9 mmtt -66.92 -56.58 9.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.355 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.965 ' HB ' HG11 ' A' ' 74' ' ' VAL . 13.8 p -63.02 -39.0 83.53 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.454 -173.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -61.69 -39.65 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 178.7 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.61 82.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.877 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.39 -38.74 88.2 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 89' ' ' VAL . 80.2 t -57.58 -44.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.168 175.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.81 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 105' ' ' ILE . 7.7 tp10 -52.11 -40.76 61.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.297 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.552 ' OD2' ' HG3' ' A' ' 97' ' ' ARG . 9.4 t70 -46.14 -70.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.225 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.552 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.3 mtm-85 -76.26 -24.33 54.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.713 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -64.77 -51.14 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.401 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.7 ttt-85 -73.47 -40.43 64.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.223 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.02 -55.4 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 m -72.79 -58.21 3.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.533 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.72 -77.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.658 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER 160.53 -52.3 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 110.859 176.38 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.88 116.87 4.81 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.351 2.034 . . . . 0.0 112.786 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.581 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 5.4 tt -59.28 -40.93 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.499 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -44.23 77.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.907 -175.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.06 -54.41 43.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.84 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 13.7 mm-40 -70.43 -38.43 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.836 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -40.86 97.53 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.169 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.57 -41.74 86.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.252 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.98 78.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.782 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 108' ' ' GLU . 98.6 mt -58.3 -49.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.922 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -61.81 -42.29 98.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.623 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.66 -47.78 74.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HD2' HD12 ' A' ' 119' ' ' LEU . 17.7 tppt? -56.29 -55.96 26.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.362 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.69 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 97.1 mt -66.24 -32.12 73.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.785 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.58 89.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.05 -17.76 28.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.316 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.494 HD12 ' HD2' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -98.52 14.47 28.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.425 0.631 . . . . 0.0 110.261 -177.397 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HB2' HG22 ' A' ' 24' ' ' VAL . 7.2 m0 . . . . . 0 N--CA 1.458 -0.069 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 t70 -91.66 155.4 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -53.54 11.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.321 0.582 . . . . 0.0 111.522 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -78.78 -39.97 34.45 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.053 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 12.6 t70 -53.32 -42.36 66.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.867 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 19' ' ' TRP . 87.9 t -54.17 -51.27 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.378 0.608 . . . . 0.0 110.312 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.39 -29.09 67.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.179 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 98.4 mttt -69.64 -44.18 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.353 175.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.4 mtt180 -59.73 -40.67 88.83 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.382 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -52.73 -47.48 67.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.522 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.94 -44.26 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.27 69.52 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.688 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 120.734 0.302 . . . . 0.0 111.107 -178.219 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.209 0.528 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -68.97 120.97 15.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.338 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.14 58.53 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.761 -0.654 . . . . 0.0 113.417 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 82.6 tttt -57.71 -59.09 5.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.014 0.435 . . . . 0.0 110.642 178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.87 -38.47 85.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.16 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' CE2' HG11 ' A' ' 89' ' ' VAL . 63.4 t80 -60.55 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.27 -39.98 80.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 111.082 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 16.6 mmmt -75.96 -44.69 38.7 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -54.01 -42.47 69.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.479 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.1 mm? -71.84 -44.62 63.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.729 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.55 -43.73 68.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.61 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.86 -40.25 83.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.137 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.0 70.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.054 0.454 . . . . 0.0 110.93 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.7 28.09 13.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.833 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.35 -40.49 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.183 0.516 . . . . 0.0 110.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 6.8 tt -105.55 136.88 44.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.57 ' H ' HG13 ' A' ' 62' ' ' ILE . 47.6 t0 64.62 100.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.488 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -153.38 -48.96 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.972 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -171.04 -63.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.434 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 5.92 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.716 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.57 HG13 ' H ' ' A' ' 58' ' ' ASP . 47.6 mm -86.01 114.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.373 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.6 p -124.02 163.35 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.207 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -18.94 72.97 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.4 m -70.88 -56.82 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.02 -46.77 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 111.005 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.3 p -68.21 -38.17 81.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.13 -45.83 92.16 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.419 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.69 -44.88 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.552 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -58.57 -54.34 48.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.728 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -59.08 -42.81 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -56.77 -35.48 68.71 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -78.79 -35.96 43.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.171 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 89' ' ' VAL . 93.8 t -63.59 -67.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.795 174.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.823 HG22 HG12 ' A' ' 74' ' ' VAL . 3.2 t -175.67 99.37 0.07 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.591 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 177.512 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 10.9 t . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 48.2 p90 -59.28 -32.95 70.5 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.953 -0.467 . . . . 0.0 110.488 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.727 ' H ' HG23 ' A' ' 82' ' ' THR . 28.2 t70 -61.84 -34.06 75.28 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.747 ' HB3' ' O ' ' A' ' 82' ' ' THR . 21.2 tt0 -51.98 -54.62 27.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.622 174.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -49.24 69.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.807 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 84' ' ' ASP . 1.9 ptmt -62.38 -36.08 81.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.599 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' HG22 ' A' ' 74' ' ' VAL . 30.4 mttp -59.12 -50.55 73.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.153 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.87 HG22 HG21 ' A' ' 74' ' ' VAL . 4.7 t -58.67 -49.43 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.015 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.2 mm? -62.36 -35.05 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -178.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.83 58.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.44 -45.37 93.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 89' ' ' VAL . 25.8 m -64.79 -45.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.36 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.688 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 105' ' ' ILE . 34.7 tt0 -60.14 -55.42 34.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 30.0 t70 -55.36 -49.18 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' HG3' ' A' ' 108' ' ' GLU . 0.5 OUTLIER -62.41 -47.76 82.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.759 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . . . -74.8 -41.46 59.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -65.98 -49.34 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.4 pt20 -73.82 -19.49 60.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.164 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -92.68 -59.42 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 110.161 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -100.73 -76.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 33.6 mttt 167.1 -58.47 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.209 1.004 . . . . 0.0 110.619 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 103' ' ' LYS . 15.9 Cg_exo -70.83 152.32 63.67 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.511 2.141 . . . . 0.0 112.636 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 95' ' ' GLU . 5.1 tt -91.05 -38.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.466 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.66 23.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.254 -172.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -52.08 -50.63 61.18 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.697 0.284 . . . . 0.0 111.623 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.5 mm-40 -73.67 -35.84 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.62 -45.45 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.752 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.69 -35.18 77.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.016 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.707 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -63.44 -47.49 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.4 mt -57.56 -49.29 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.365 0.602 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -59.29 -41.82 89.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.297 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.278 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 60.9 mttm -53.0 -52.02 59.73 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.53 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 119' ' ' LEU . 91.9 mt -59.48 -40.39 86.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.527 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.23 92.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.199 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.97 -15.56 60.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.314 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.763 HD12 HD23 ' A' ' 116' ' ' LEU . 84.9 mt -79.78 31.68 0.25 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.653 0.263 . . . . 0.0 111.175 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.701 178.278 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CZ2' ' HG ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.568 0.699 . . . . 0.0 111.622 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.723 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 13.9 t70 -78.7 167.89 20.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.445 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -50.58 -40.5 52.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.28 -41.08 18.73 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.394 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.723 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -64.84 -39.63 93.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.625 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.79 -39.19 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -86.56 -49.12 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.828 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -59.96 -38.97 84.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.715 -175.454 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.1 -38.49 62.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.444 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -76.27 -44.63 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.31 -46.08 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.056 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -56.38 22.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 0.0 111.115 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.8 p -87.05 154.83 20.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.643 0.259 . . . . 0.0 110.726 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.97 -36.15 60.15 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.597 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 34.6 ttpt -61.75 -49.46 76.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -72.13 -32.25 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.674 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HE2' HG11 ' A' ' 89' ' ' VAL . 36.7 t80 -68.32 -46.47 70.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.65 -36.05 77.73 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.548 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.789 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -71.06 -51.34 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.533 -176.705 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -58.22 -38.3 76.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.692 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.2 mm? -75.6 -35.85 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.728 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 19.0 ttmm -65.92 -35.92 81.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.933 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.46 -28.38 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 111.147 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.7 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.64 6.42 65.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' HB ' HD12 ' A' ' 51' ' ' LEU . 22.5 t -91.0 -35.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.399 0.618 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 9.2 tp -120.0 151.44 38.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.579 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 23.8 t70 -121.13 -94.99 0.49 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.579 ' HB2' ' O ' ' A' ' 58' ' ' ASP . 11.6 t-20 165.12 -45.73 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.812 0.695 . . . . 0.0 109.311 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -101.68 -49.05 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.796 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.46 87.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.231 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ASP . 47.7 mm -67.97 125.39 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.497 0.665 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 1.6 m -63.58 138.75 58.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.774 -176.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.68 -37.94 93.06 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.6 m -60.27 -51.76 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.085 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ttt -58.75 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.214 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 63' ' ' THR . 10.2 t -67.92 -36.64 80.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.25 97.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.268 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 65' ' ' THR . 73.4 mt -64.69 -38.25 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.699 0.285 . . . . 0.0 110.242 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.26 -52.82 63.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 74' ' ' VAL . 21.3 m-85 -57.93 -43.55 86.37 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.962 0.411 . . . . 0.0 111.199 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.15 -28.17 69.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.056 0.455 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.688 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -84.75 -36.14 21.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -177.086 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.941 ' HB ' ' HG2' ' A' ' 85' ' ' GLU . 34.4 m -66.76 -43.67 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.4 HG22 HG23 ' A' ' 74' ' ' VAL . 9.6 t 178.49 -22.15 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.629 -178.364 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -39.15 -71.51 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.14 -30.86 69.19 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.941 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 15.9 tm-20 -61.24 -59.31 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.631 ' HA ' HG23 ' A' ' 89' ' ' VAL . 30.0 m -63.23 -31.73 72.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.422 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.33 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.512 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 88' ' ' LYS . 55.6 mmtt -72.86 -41.58 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.225 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.851 HG22 HG11 ' A' ' 74' ' ' VAL . 1.3 t -59.67 -58.03 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.401 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.56 -39.32 83.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.094 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.08 60.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.645 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.99 -46.45 74.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.404 0.145 . . . . 0.0 111.382 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 89' ' ' VAL . 58.0 t -61.24 -44.73 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.62 91.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 105' ' ' ILE . 32.0 tt0 -56.76 -54.12 49.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.684 ' HA ' ' HE ' ' A' ' 99' ' ' ARG . 19.7 t70 -64.57 -35.28 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.646 -174.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -74.31 -28.66 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.086 0.47 . . . . 0.0 110.034 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -83.74 -55.02 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.684 ' HE ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.87 -23.6 53.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -171.417 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.499 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 50.4 mt-30 -80.72 -52.21 7.8 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -101.6 -49.71 3.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.774 ' HG3' ' HD2' ' A' ' 104' ' ' PRO . 3.9 tppp? -92.76 -35.97 13.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -167.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.868 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 8.2 mmpt? 97.09 -70.23 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.544 1.538 . . . . 0.0 112.022 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 5.7 Cg_exo -78.15 122.84 5.88 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.965 1.776 . . . . 0.0 112.201 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.4 pp -62.97 -38.35 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.027 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -38.31 76.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.64 -44.51 93.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.414 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.44 -36.05 71.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.45 -39.73 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.37 -43.11 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.248 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.858 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 85.4 mt -63.24 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -41.14 86.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 33.5 tt0 -63.25 -40.64 98.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 57.8 tptt -50.06 -47.84 53.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.412 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.657 ' HG ' ' CZ2' ' A' ' 19' ' ' TRP . 3.0 mm? -63.21 -39.93 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 0.0 110.341 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 29.3 mtpp -69.27 -15.56 63.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.944 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 85.5 mt -90.02 27.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 177.978 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.481 ' CZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 121.335 0.588 . . . . 0.0 111.699 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 18.0 t70 -85.35 157.7 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.964 -168.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.3 -44.71 65.2 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.844 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -39.43 17.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.479 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 1.9 t70 -50.54 -50.1 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.272 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.8 m -58.28 -32.81 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.671 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -73.95 -38.65 64.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -86.74 -43.16 12.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.44 HH22 ' HE3' ' A' ' 19' ' ' TRP . 43.8 ttp85 -79.2 -46.1 18.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.036 -174.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.654 ' HA ' ' HD2' ' A' ' 31' ' ' PHE . 2.1 t90 -65.67 -31.53 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.56 . . . . 0.0 110.11 -176.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.39 -44.07 72.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.803 175.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.26 70.54 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.229 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.654 ' HD2' ' HA ' ' A' ' 28' ' ' TRP . 39.2 m-85 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 121.081 0.467 . . . . 0.0 111.391 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -129.19 143.79 50.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.46 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.79 94.5 Favored Glycine 0 C--O 1.225 -0.465 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.58 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.32 -51.35 70.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.39 -46.99 77.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.93 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.83 -40.17 95.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.668 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 14.2 t70 -61.23 -29.73 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.61 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -84.79 -48.04 9.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -51.01 -44.88 61.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.093 175.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 10.1 tp -86.13 -34.05 20.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.352 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 27.9 tptt -63.18 -46.36 87.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.727 0.299 . . . . 0.0 110.223 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -70.26 -36.39 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.446 . . . . 0.0 110.567 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.94 43.34 6.4 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.138 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 t -126.55 -4.38 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.418 0.628 . . . . 0.0 110.009 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 59.2 tp -92.37 -37.09 12.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -123.1 -75.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.529 -172.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 56.98 18.28 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 73.45 -46.36 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.747 0.819 . . . . 0.0 111.766 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.51 -28.16 64.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.86 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.39 134.72 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.659 ' O ' HG22 ' A' ' 67' ' ' THR . 76.3 p -98.6 138.94 35.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.882 -172.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.36 -21.35 56.92 Favored Glycine 0 N--CA 1.453 -0.223 0 O-C-N 123.946 0.778 . . . . 0.0 112.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 t -75.04 -40.99 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.724 -0.28 . . . . 0.0 110.793 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 tpt -68.8 -53.13 23.42 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.645 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.62 -37.63 88.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.098 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.09 -45.69 95.56 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.543 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.8 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.28 89.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.7 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 74' ' ' VAL . 82.7 t80 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.749 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.5 m -59.74 -27.27 66.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.305 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.36 -42.13 16.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 ' HB ' ' A' ' 89' ' ' VAL . 27.4 m -65.44 -30.82 51.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 111.753 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.2 p -93.54 -74.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.691 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.907 176.618 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 83' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.462 0.172 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.614 ' H ' HG22 ' A' ' 82' ' ' THR . 33.9 m-85 -54.31 -32.11 55.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.903 0.481 . . . . 0.0 111.742 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.802 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 27.9 t70 -59.28 -29.38 67.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.801 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.726 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 11.1 tm-20 -48.64 -63.67 1.02 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.06 0.544 . . . . 0.0 111.315 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 m -59.33 -41.91 90.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.268 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 84' ' ' ASP . 15.0 pttp -69.71 -35.19 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.363 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' O ' ' HD1' ' A' ' 92' ' ' PHE . 25.4 mttp -69.12 -61.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.753 ' HB ' HG11 ' A' ' 74' ' ' VAL . 12.2 p -62.33 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.587 -171.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 tp -70.13 -35.69 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.704 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -43.53 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.877 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 88' ' ' LYS . 13.5 m-85 -60.16 -46.64 89.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 89' ' ' VAL . 22.5 m -64.24 -44.9 97.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.906 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.06 74.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.225 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 105' ' ' ILE . 41.7 tt0 -63.35 -44.53 94.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.543 -174.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.68 -35.99 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.459 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.0 -46.46 29.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.13 35.33 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.274 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.24 -25.04 65.89 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -172.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.514 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 44.9 mt-30 -79.06 -27.42 43.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 177.363 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -97.64 -66.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.475 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 27.4 mtpt -101.11 -77.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.211 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 83.4 tttt 169.1 -60.15 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 O-C-N 123.673 0.608 . . . . 0.0 111.652 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 5.3 Cg_exo -79.57 130.78 9.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.517 2.145 . . . . 0.0 113.766 -171.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -73.34 -42.53 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.747 176.238 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.52 -41.73 97.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.282 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.2 -40.09 92.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.924 0.393 . . . . 0.0 110.794 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 112' ' ' ILE . 7.3 tp10 -67.4 -48.61 66.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.26 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.6 tp -65.85 -37.87 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.88 -45.86 89.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.862 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -59.49 -50.79 72.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.69 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.8 mt -54.49 -49.45 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 110.627 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 m -63.02 -44.43 95.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.546 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.7 -38.79 67.4 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.17 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 53.9 mtpt -56.83 -38.78 73.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.587 0.232 . . . . 0.0 111.171 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 56.0 mt -67.98 -42.16 81.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.61 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.786 0.803 . . . . 0.0 109.81 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 120' ' ' GLU . 29.0 ttpt -73.74 -15.34 61.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.617 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 tp -76.54 26.53 0.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 118' ' ' LYS . 46.5 mt-10 . . . . . 0 C--O 1.234 0.285 0 C-N-CA 123.869 0.868 . . . . 0.0 111.17 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.555 ' HB3' HG22 ' A' ' 24' ' ' VAL . 76.0 m95 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 121.872 0.844 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.92 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 11.4 t70 -106.38 165.66 11.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.441 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -39.65 -47.8 2.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.269 0.557 . . . . 0.0 111.442 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.39 -40.75 16.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.348 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.92 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 10.8 t70 -64.06 -42.88 96.85 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.727 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 19' ' ' TRP . 97.8 t -59.19 -44.62 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 0.0 110.076 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.17 -31.98 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.838 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG3' ' HD2' ' A' ' 27' ' ' ARG . 19.0 ptpt -68.39 -40.43 81.34 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' HG3' ' A' ' 26' ' ' LYS . 1.2 mpt_? -66.82 -44.94 79.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' HD12 ' A' ' 90' ' ' LEU . 35.7 m0 -58.25 -42.36 86.24 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.521 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.52 -43.84 89.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.775 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.21 -43.59 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.657 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 111.511 178.075 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -87.26 159.85 18.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.059 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.84 -47.49 78.62 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 114.348 -171.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.4 ttpt -73.13 -35.41 66.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.217 0.509 . . . . 0.0 111.155 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.59 -35.69 75.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.756 0.312 . . . . 0.0 110.665 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -69.9 -36.5 75.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 9.9 t70 -59.77 -28.28 67.26 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.392 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 94.6 mttt -72.22 -46.45 56.03 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -59.89 -36.56 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.221 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 4.1 mm? -79.91 -54.5 5.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.732 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 7.4 tmtt? -71.27 -46.3 61.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.553 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -75.35 -22.03 57.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.948 0.404 . . . . 0.0 111.031 -171.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -75.01 -34.03 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.29 13.13 9.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.555 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.67 -49.99 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.152 0.501 . . . . 0.0 110.104 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.896 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 19.6 tp -82.88 86.6 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.315 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HB3' HG12 ' A' ' 62' ' ' ILE . 16.3 t70 -77.56 -35.35 53.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.848 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' H ' ' HB ' ' A' ' 62' ' ' ILE . 60.9 t30 69.69 -46.62 0.59 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.989 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.99 -59.96 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.027 0.441 . . . . 0.0 110.238 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.53 -4.16 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.301 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.9 mm -100.99 131.6 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 110.05 15.79 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.821 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.74 -16.18 67.62 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.485 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -71.7 -49.01 43.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.429 ' HG2' ' HB2' ' A' ' 96' ' ' ASP . 14.8 tpt -75.15 -47.83 26.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.238 0.542 . . . . 0.0 110.356 -178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.503 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 75.5 p -70.46 -37.89 74.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.469 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.72 95.39 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.426 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.6 mt -68.22 -39.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.93 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.667 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 67' ' ' THR . 35.3 m-85 -55.84 -44.9 78.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.446 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 m -69.49 -36.32 76.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.802 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -72.39 -30.69 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.324 0.583 . . . . 0.0 110.272 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.127 HG21 ' HB ' ' A' ' 89' ' ' VAL . 31.7 t -71.62 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.074 175.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -76.36 -77.32 0.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.401 -175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -174.416 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' OE1' ' A' ' 85' ' ' GLU . 3.9 t . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -48.13 -71.59 0.07 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -162.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 16.3 t70 -72.04 -30.43 65.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.004 0.43 . . . . 0.0 110.383 -174.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 74' ' ' VAL . 4.7 mp0 -48.46 -54.61 13.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.298 174.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.8 m -58.69 -39.15 79.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.169 0.509 . . . . 0.0 111.005 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -63.86 -40.77 97.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.677 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 69.0 mttm -60.23 -55.45 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.23 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 1.127 ' HB ' HG21 ' A' ' 74' ' ' VAL . 7.7 p -59.88 -45.57 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.809 -172.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' CZ2' ' A' ' 28' ' ' TRP . 20.8 mt -64.85 -32.44 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.768 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -46.24 54.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.47 -44.06 92.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.621 0.248 . . . . 0.0 111.631 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 89' ' ' VAL . 94.6 t -62.16 -45.45 98.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.37 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.31 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.664 ' HG3' HG21 ' A' ' 105' ' ' ILE . 42.8 tt0 -55.75 -49.0 74.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.895 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB2' ' HG2' ' A' ' 66' ' ' MET . 36.0 t70 -61.44 -51.32 69.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.62 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 97' ' ' ARG . 19.7 ttt180 -58.92 -42.94 90.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.719 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.616 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -62.46 -53.65 51.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 62.9 mtm180 -63.69 -26.47 68.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.193 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.43 -45.24 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 t -74.2 -75.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.827 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 103' ' ' LYS . 40.7 ttmt -101.81 -76.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 63.8 pttt 170.12 -40.27 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.191 0.932 . . . . 0.0 111.828 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.483 ' HD3' ' CG ' ' A' ' 103' ' ' LYS . 1.2 Cg_endo -85.1 128.57 3.69 Favored 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 122.41 2.073 . . . . 0.0 111.842 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.7 pp -68.28 -38.35 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.38 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.93 83.73 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.35 -45.13 76.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.108 0.48 . . . . 0.0 111.111 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -67.36 -43.89 80.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.36 -34.13 77.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.04 0.448 . . . . 0.0 110.331 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLU . 9.4 t70 -60.36 -46.04 91.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.739 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.75 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.1 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 92.6 mt -66.78 -42.68 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.632 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -62.82 -45.72 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ASP . 51.2 mt-10 -61.49 -40.22 93.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.553 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 58.5 tptt -49.37 -53.1 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.366 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 54' ' ' ALA . 62.4 mt -73.35 -32.45 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.62 97.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.234 0.54 . . . . 0.0 110.426 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -82.08 -17.78 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.426 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 12.2 mt -94.29 30.22 2.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.38 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 124.543 1.152 . . . . 0.0 112.384 -173.639 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.688 ' OD1' ' HA ' ' A' ' 120' ' ' GLU . 94.9 m-20 . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 113' ' ' THR . 0.2 OUTLIER -74.28 106.99 6.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.761 0.791 . . . . 0.0 110.605 175.63 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 t70 -68.88 159.27 32.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -45.0 -51.47 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.4 0.619 . . . . 0.0 111.276 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.09 -39.67 60.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.701 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' N ' ' A' ' 20' ' ' ASP . 17.4 t70 -58.0 -39.34 78.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.914 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 20' ' ' ASP . 84.5 t -52.83 -45.48 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.095 0.474 . . . . 0.0 110.43 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -68.24 -41.14 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.278 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -58.26 -54.35 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.451 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -65.15 -38.3 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.659 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.594 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 4.2 m0 -67.12 -53.82 27.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 111.021 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.83 -43.08 76.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.291 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.51 9.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 83' ' ' PHE . 53.9 m-85 -57.83 -40.07 79.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.678 -177.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m -79.35 -46.53 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.926 -0.125 . . . . 0.0 111.302 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -56.34 -54.07 49.84 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.873 0.368 . . . . 0.0 111.429 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.15 -35.17 25.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.332 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.54 52.15 3.83 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.22 67.71 8.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.355 -0.422 . . . . 0.0 111.513 -170.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.4 -67.18 0.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.6 m -107.3 74.85 0.99 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 122.459 1.124 . . . . 0.0 109.374 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.05 93.65 0.98 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.558 -1.655 . . . . 0.0 107.26 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 m 61.66 61.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -166.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.44 148.09 24.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.9 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 85.7 mtp -122.02 119.3 31.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 79' ' ' LYS . 1.1 m -54.85 154.75 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.943 0.777 . . . . 0.0 111.269 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.41 -36.5 38.08 Favored Glycine 0 C--O 1.226 -0.403 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.101 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 31.4 ttpt -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.137 0.494 . . . . 0.0 110.821 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.61 -36.57 57.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.222 -175.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -70.21 -40.21 74.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.647 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.334 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -45.19 60.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.792 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -53.77 -35.58 61.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.542 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.1 mm? -79.67 -49.21 12.45 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 83.8 mttt -70.52 -33.99 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.26 -26.36 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.324 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.29 -30.73 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.91 4.48 58.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.314 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 93' ' ' VAL . 38.9 t -83.51 -50.74 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.296 0.57 . . . . 0.0 109.927 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 7.3 tt -107.12 92.4 4.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.06 -33.69 50.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.667 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 8.8 t-20 60.76 28.49 18.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 122.28 1.038 . . . . 0.0 109.389 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -122.98 -48.36 2.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.299 -174.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.32 -19.55 6.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.5 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -64.8 164.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.471 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.9 p -74.84 152.41 38.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.44 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.9 -22.84 40.71 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 172.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -61.43 -58.88 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.847 -0.676 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -46.66 73.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.3 p -67.07 -51.34 55.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.089 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.7 86.5 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.713 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.69 -30.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.521 0.201 . . . . 0.0 110.61 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.62 -57.91 10.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.513 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.49 -43.92 93.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.019 0.438 . . . . 0.0 110.937 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -59.91 -27.06 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.441 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -93.9 -47.69 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.567 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.791 HG11 ' HB ' ' A' ' 89' ' ' VAL . 34.0 m -67.2 -58.71 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.506 ' N ' HG23 ' A' ' 74' ' ' VAL . 40.5 p -88.95 -54.91 3.91 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.74 -0.6 . . . . 0.0 111.056 -175.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.38 -87.64 0.77 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -172.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.49 -168.48 0.26 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.857 2.371 . . . . 0.0 112.134 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -96.37 -12.82 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.342 -173.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.492 ' HE2' ' HB3' ' A' ' 79' ' ' LYS . 41.7 mtpt -67.39 -75.25 0.1 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.9 ' HD3' ' H ' ' A' ' 42' ' ' MET . 27.8 ttpt 179.54 -167.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.861 ' H ' ' HG2' ' A' ' 80' ' ' LYS . . . -149.51 -118.09 0.05 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' OE2' ' A' ' 85' ' ' GLU . 14.2 t -168.12 -167.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 28' ' ' TRP . 89.6 t80 -44.1 -61.05 1.61 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD2' ' HE2' ' A' ' 88' ' ' LYS . 16.0 t0 -58.68 -52.65 64.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.391 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 82' ' ' THR . 1.9 mp0 -55.62 -37.5 68.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.5 m -68.06 -42.58 80.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.257 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -71.99 -27.15 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.519 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 84' ' ' ASP . 68.5 mttm -62.39 -56.37 18.93 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.791 ' HB ' HG11 ' A' ' 74' ' ' VAL . 7.1 p -64.54 -41.18 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.351 -174.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.594 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 34.9 mt -60.63 -35.76 76.97 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.911 0.386 . . . . 0.0 110.303 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.94 -44.34 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -62.2 -45.72 92.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.679 0.276 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 56' ' ' VAL . 61.1 t -63.97 -44.42 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.895 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.5 96.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.677 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' A' ' 99' ' ' ARG . 43.6 tt0 -61.77 -36.3 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.268 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 8.9 t70 -36.89 -64.88 0.32 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.005 0.815 . . . . 0.0 112.513 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.6 mtm180 -95.25 -29.3 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -61.5 -44.4 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.899 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -73.63 -25.62 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.665 -174.202 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 78.6 mt-30 -64.84 -47.93 76.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 111.259 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -97.3 -55.36 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.721 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 69.7 tttt -90.92 -47.29 7.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.673 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.899 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 54.6 mtpt 105.28 -52.27 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 125.755 1.622 . . . . 0.0 113.774 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.43 120.82 8.68 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.831 1.688 . . . . 0.0 112.596 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -40.08 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.197 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -54.81 -32.52 60.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.327 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.93 -48.39 80.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.9 tp10 -75.5 -31.23 60.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.618 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.0 tp -61.31 -48.36 81.73 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.833 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.25 -39.76 79.99 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB1' ' HE3' ' A' ' 115' ' ' LYS . . . -60.36 -52.08 66.78 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.496 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 108' ' ' GLU . 95.0 mt -51.53 -53.11 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.046 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 19' ' ' TRP . 3.7 m -59.65 -42.2 92.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.506 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.93 -40.83 78.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.261 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HE3' ' HB1' ' A' ' 111' ' ' ALA . 87.7 mttt -61.27 -57.52 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.877 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 119' ' ' LEU . 95.1 mt -66.72 -16.26 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.039 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.84 83.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.966 0.412 . . . . 0.0 110.587 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -103.65 -17.21 15.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.393 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.596 ' HB3' ' HA ' ' A' ' 116' ' ' LEU . 15.5 tp -85.08 17.39 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.688 ' HA ' ' OD1' ' A' ' 18' ' ' ASN . 40.2 mt-10 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.417 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' CG ' HD23 ' A' ' 119' ' ' LEU . 44.1 m-80 . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 120.952 0.406 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.468 ' CD2' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -55.54 149.16 14.19 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.231 174.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' VAL . 12.7 t70 -79.9 151.65 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.1 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.664 ' HB2' ' HB2' ' A' ' 117' ' ' ALA . 26.4 t70 -45.48 -52.86 9.67 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.616 0.572 . . . . 0.0 111.846 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.2 80.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.469 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.12 -39.37 94.5 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.06 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 20' ' ' ASP . 82.7 t -51.34 -55.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -64.03 -40.79 97.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.374 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -68.35 -41.03 81.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -53.4 -46.64 69.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.607 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -62.81 -46.59 87.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.25 -44.28 88.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.84 75.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.864 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.68 -29.26 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 111.038 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 m -77.9 -41.37 36.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.502 . . . . 0.0 111.071 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -76.51 -44.15 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.427 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' HB3' ' H ' ' A' ' 35' ' ' GLY . 89.0 m-85 -89.36 -152.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.534 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 34' ' ' PHE . . . -113.0 82.49 0.31 Allowed Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HB3' ' A' ' 39' ' ' ALA . . . -74.5 70.11 1.74 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.322 0.582 . . . . 0.0 110.664 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.49 -37.39 74.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -73.8 -23.85 59.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.08 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.646 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . . . -85.45 42.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.696 0.76 . . . . 0.0 110.141 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 41' ' ' GLU . 11.2 t -77.36 -26.78 52.29 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.615 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HG2' HG23 ' A' ' 40' ' ' THR . 11.9 pt-20 -172.01 148.45 2.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.272 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 13.5 tpt -104.77 136.86 43.48 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.341 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 p -70.2 123.49 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.607 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.3 18.67 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.592 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -61.54 -39.77 92.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.053 0.454 . . . . 0.0 111.062 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.33 -33.59 74.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.686 ' HE2' HG11 ' A' ' 89' ' ' VAL . 14.7 t80 -71.91 -36.49 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.887 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.54 -41.27 72.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.171 0.51 . . . . 0.0 110.548 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -75.78 -45.41 36.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -55.18 -38.76 68.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.378 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.963 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 2.5 mm? -75.72 -36.16 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -72.41 -42.23 65.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.041 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.55 -45.37 83.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.778 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.12 67.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.721 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.93 17.5 35.0 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.356 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.48 -36.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 110.441 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.963 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 21.3 tp -86.65 97.1 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.74 -56.06 4.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.031 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 m-20 64.57 9.11 4.84 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -103.45 -49.11 3.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.46 -11.52 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.623 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 66.2 mt -103.91 120.98 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.265 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 67' ' ' THR . 12.5 p -115.67 -178.98 3.52 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.35 -29.73 23.73 Favored Glycine 0 C--N 1.332 0.351 0 CA-C-N 114.862 -1.063 . . . . 0.0 114.227 -175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -70.78 -34.05 71.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.546 0.673 . . . . 0.0 111.456 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.23 -57.28 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.152 0.501 . . . . 0.0 109.982 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -63.34 -37.4 87.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.437 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.36 -46.74 89.75 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.836 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.49 -44.09 98.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.736 0.303 . . . . 0.0 110.495 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.14 -50.59 72.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.328 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' HA ' HG22 ' A' ' 74' ' ' VAL . 75.9 t80 -58.99 -43.72 91.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.034 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 m -59.3 -30.85 68.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.447 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -83.21 -39.35 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 89' ' ' VAL . 13.5 m -73.26 -24.7 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.634 HG23 HG23 ' A' ' 74' ' ' VAL . 25.5 p -130.02 -86.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' A' ' 77' ' ' PRO . . . 103.79 -100.94 1.94 Allowed Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -174.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 76' ' ' GLY . 5.3 Cg_exo -80.83 -176.53 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 123.063 2.508 . . . . 0.0 111.894 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -21.57 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.65 -36.86 70.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.866 173.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB3' ' OE1' ' A' ' 85' ' ' GLU . 61.6 mtpt 56.97 -152.11 0.4 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.581 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.064 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -117.45 -94.91 0.49 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.671 -0.812 . . . . 0.0 112.079 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 8.9 t 163.99 -139.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -173.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.36 -34.72 69.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.053 0.388 . . . . 0.0 110.553 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 82' ' ' THR . 15.0 t70 -54.57 -49.81 69.46 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.949 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.064 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 41.3 tt0 -44.5 -53.71 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.051 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.9 m -61.15 -52.22 65.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.003 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.52 68.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.61 0.243 . . . . 0.0 111.137 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' CB ' HG12 ' A' ' 74' ' ' VAL . 29.6 mmtp -65.14 -46.33 81.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.669 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.686 HG11 ' HE2' ' A' ' 47' ' ' PHE . 29.7 t -57.95 -50.69 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.779 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.96 -36.45 72.6 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' GLU . . . -69.74 -40.16 76.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -75.15 -40.6 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 89' ' ' VAL . 21.2 m -64.4 -44.64 97.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.724 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.59 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.82 ' HG2' HG21 ' A' ' 105' ' ' ILE . 1.1 tm-20 -49.67 -61.07 2.33 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.713 0.633 . . . . 0.0 110.416 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.97 -41.4 82.84 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.685 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.802 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -66.27 -50.37 63.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -69.8 -35.44 74.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 35.2 ttp180 -60.0 -38.77 83.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -86.5 -20.65 27.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 t -80.94 -76.19 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.431 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -100.99 -76.03 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.742 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 20.5 mtpt 173.04 -54.18 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 125.079 1.351 . . . . 0.0 109.204 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 55.7 Cg_endo -72.17 133.37 21.11 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.054 1.836 . . . . 0.0 112.309 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.82 HG21 ' HG2' ' A' ' 95' ' ' GLU . 19.4 pt -75.15 -38.3 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -52.12 -27.93 15.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.46 -56.12 26.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.744 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 7.3 tp10 -66.42 -32.08 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.13 -51.1 65.32 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.675 ' HA ' ' OG1' ' A' ' 113' ' ' THR . 28.7 t70 -69.04 -26.81 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.144 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.56 -44.46 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.103 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.81 -49.95 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.51 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.675 ' OG1' ' HA ' ' A' ' 110' ' ' ASP . 22.3 p -58.89 -42.36 89.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.671 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 26.9 tt0 -65.18 -45.34 85.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 31.4 ttpt -58.61 -46.9 86.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 19' ' ' TRP . 25.7 mt -59.04 -50.21 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.016 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . . . -57.35 -38.63 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.533 -176.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 22.4 ptmt -90.29 -12.68 37.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.633 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.649 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 14.2 tp -76.17 18.89 0.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -170.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.986 0.422 . . . . 0.0 110.369 -174.744 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.524 ' OD1' ' HA ' ' A' ' 120' ' ' GLU . 8.2 t30 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.961 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -60.69 127.81 33.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.588 0.708 . . . . 0.0 110.719 175.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.644 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 27.2 t70 -96.57 166.24 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.115 -173.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -35.17 -61.9 0.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.2 1.0 . . . . 0.0 112.664 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.871 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 34.5 t70 -55.92 -39.22 71.32 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.784 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' ASP . 94.0 t -57.04 -59.51 3.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.36 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.92 -22.3 64.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.399 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 10.3 mtpm? -54.07 -44.65 71.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 175.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -72.51 -41.65 65.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.641 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 2.2 m95 -59.15 -40.41 85.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.547 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.28 -44.82 90.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ALA . . . -57.69 -50.88 71.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 111.36 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.897 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 21.4 m-85 -67.72 -14.66 63.13 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 m -96.59 -51.91 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.029 -0.419 . . . . 0.0 111.007 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -65.26 -53.25 47.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.956 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -89.02 -33.99 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.339 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.36 -28.44 9.64 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -170.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.897 ' HA ' ' HD1' ' A' ' 31' ' ' PHE . . . 172.67 129.82 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.548 -1.326 . . . . 0.0 107.673 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . . . -52.17 -58.1 7.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.38 0.425 . . . . 0.0 111.563 -175.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -159.19 21.15 0.19 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.55 0.69 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.48 103.79 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.816 -172.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -96.64 -1.11 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.594 0.712 . . . . 0.0 109.493 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -100.08 96.0 7.22 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.024 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.8 mtp -120.04 97.01 5.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -73.49 124.17 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.224 0.535 . . . . 0.0 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 78' ' ' LYS . . . -70.85 -23.43 77.95 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.858 -175.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -68.87 -38.26 79.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.104 0.478 . . . . 0.0 109.9 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.76 -38.53 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 86' ' ' THR . 72.1 t80 -65.42 -41.12 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.79 -37.79 77.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.278 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -74.91 -45.52 42.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.854 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.42 ' HD1' HD22 ' A' ' 51' ' ' LEU . 72.3 t-105 -51.93 -32.3 32.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.282 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.9 mm? -92.57 -36.26 13.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.893 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 60.1 tttm -73.12 -44.66 59.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.718 0.294 . . . . 0.0 111.225 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.89 -33.41 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.389 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.81 68.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.075 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.31 -2.74 59.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.393 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.2 t -76.91 -44.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.383 0.611 . . . . 0.0 109.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -107.81 83.41 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.877 174.073 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.873 ' HB3' HG12 ' A' ' 62' ' ' ILE . 11.4 t70 -54.58 -40.7 69.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.828 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 t30 70.55 -6.28 1.24 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.039 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -110.68 -54.52 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.19 0.519 . . . . 0.0 110.13 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.15 19.69 20.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.446 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.873 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.5 mm -89.8 127.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.444 0.64 . . . . 0.0 110.345 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 3.1 m -61.28 144.51 53.74 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.649 -177.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.12 -25.21 61.86 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.658 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -55.9 -40.72 73.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.206 0.527 . . . . 0.0 110.71 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 63' ' ' THR . 1.9 mpt? -85.35 -59.2 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.025 -178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -66.74 -44.38 81.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.593 -173.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.72 -50.02 64.53 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.41 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.03 -40.29 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.595 0.197 . . . . 0.0 110.649 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.76 -56.5 19.79 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.977 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.589 ' HA ' HG22 ' A' ' 74' ' ' VAL . 44.4 m-85 -61.55 -44.03 97.78 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.26 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.6 m -57.35 -27.81 62.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.127 -0.358 . . . . 0.0 111.817 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -83.35 -29.29 28.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.589 HG22 ' HA ' ' A' ' 71' ' ' PHE . 33.7 m -99.95 -39.83 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 t 174.24 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 108.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.0 -61.5 3.43 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.994 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.33 135.5 24.73 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.475 2.116 . . . . 0.0 111.748 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 91.7 mttt -71.09 -11.04 60.73 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.702 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -35.06 -68.57 0.12 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -174.92 158.17 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -146.34 -92.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.277 0.361 . . . . 0.0 111.396 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 11.4 t 172.32 -175.85 0.05 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -174.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 69.2 t80 -62.95 -32.9 74.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.225 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.4 -44.06 68.4 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -59.14 -61.14 2.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.005 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.573 HG23 ' CE1' ' A' ' 47' ' ' PHE . 30.2 m -50.13 -48.72 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.744 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 83' ' ' PHE . 13.9 ptmm? -64.59 -36.44 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.706 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HB2' HG12 ' A' ' 74' ' ' VAL . 57.9 mtmt -74.25 -41.99 60.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.258 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 85' ' ' GLU . 31.0 t -58.76 -55.23 24.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.732 0.301 . . . . 0.0 110.565 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 36.4 mt -60.22 -44.95 94.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.355 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.44 77.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.7 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -70.74 -51.72 25.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.637 0.256 . . . . 0.0 111.022 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.62 -45.67 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.756 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.15 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HA ' HG13 ' A' ' 105' ' ' ILE . 36.8 tt0 -59.13 -68.43 0.27 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.586 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 2.2 t70 -64.91 -33.05 75.11 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.1 0.25 . . . . 0.0 111.433 -170.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -56.35 -50.74 70.65 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -74.62 -43.62 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.382 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.652 ' HB3' ' HA ' ' A' ' 96' ' ' ASP . 59.8 ttt180 -45.46 -49.46 13.44 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.99 0.916 . . . . 0.0 112.273 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -73.89 -40.55 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.864 0.364 . . . . 0.0 111.494 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -93.49 -60.08 1.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.578 ' C ' ' HD2' ' A' ' 104' ' ' PRO . 91.8 mttt -96.69 -41.41 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.94 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 51.2 mtpt 103.07 -64.31 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.993 1.717 . . . . 0.0 112.017 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 37.8 Cg_endo -66.72 108.16 1.4 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.673 1.582 . . . . 0.0 113.195 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.59 -40.52 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.694 178.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.91 -39.51 74.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.176 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.17 -40.04 90.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.834 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 10.6 tp10 -63.98 -44.56 92.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.8 -41.67 99.38 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.42 -40.48 94.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.28 94.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.76 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 108' ' ' GLU . 94.1 mt -59.12 -49.4 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.9 m -57.22 -48.57 78.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.558 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -38.93 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.678 0.275 . . . . 0.0 111.0 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -59.7 -42.17 92.4 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.961 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 46.0 mt -59.81 -38.41 81.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.97 84.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.453 0.644 . . . . 0.0 110.379 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.36 -16.9 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.925 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt -98.99 16.19 23.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.992 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.524 ' HA ' ' OD1' ' A' ' 18' ' ' ASN . 9.6 pt-20 . . . . . 0 N--CA 1.47 0.534 0 O-C-N 124.332 1.02 . . . . 0.0 112.671 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.495 ' CG ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.55 144.96 12.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.915 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 m-20 -60.35 148.19 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.812 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -49.6 -47.1 49.76 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.744 0.783 . . . . 0.0 110.811 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -39.4 58.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.176 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' CB ' ' HB2' ' A' ' 20' ' ' ASP . 30.9 t70 -60.13 -39.85 87.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.72 -175.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' ASP . 34.3 t -47.8 -59.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.489 0.493 . . . . 0.0 110.836 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 43.8 tptt -66.36 -44.71 82.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.675 -177.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 6.3 ttpm? -54.39 -42.99 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.187 0.518 . . . . 0.0 110.985 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 19' ' ' TRP . 3.1 ttp180 -79.63 -47.33 15.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.593 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.79 -45.58 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.237 0.542 . . . . 0.0 111.032 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.8 t70 -64.73 -43.75 92.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.668 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.173 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 18.3 m-85 -57.24 -36.32 70.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.552 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 m -86.53 -41.33 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.858 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -85.19 -60.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -84.84 -36.57 21.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.161 0.505 . . . . 0.0 110.465 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.09 -35.71 2.32 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HA ' ' HD1' ' A' ' 31' ' ' PHE . . . 179.39 153.74 0.45 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.42 -38.01 20.74 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.5 p -139.55 -88.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.721 170.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . . . 40.52 50.11 2.77 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 169.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -64.99 -59.91 3.63 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -145.24 147.36 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 ttt -144.69 141.55 29.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -99.19 160.56 14.18 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.855 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -50.83 61.65 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.054 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -54.58 -33.98 61.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.977 0.388 . . . . 0.0 112.022 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.98 -29.02 61.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.633 0.254 . . . . 0.0 111.083 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 89' ' ' VAL . 16.8 t80 -87.71 -39.58 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.229 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -23.48 65.87 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.284 0.564 . . . . 0.0 109.698 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -68.29 -50.04 56.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.515 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -61.84 -38.59 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.38 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.4 mm? -70.45 -42.14 71.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.562 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 12.3 tmtt? -73.75 -51.82 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -73.7 -22.23 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.459 -169.256 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.28 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.291 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.46 19.33 18.61 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.613 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.3 t -93.8 -46.11 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.748 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 4.9 tp -93.02 28.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.339 0.59 . . . . 0.0 110.446 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.16 69.87 0.15 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.676 0.75 . . . . 0.0 109.485 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.627 ' OD1' ' HG2' ' A' ' 60' ' ' LYS . 29.0 t-20 -103.23 -69.02 0.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.452 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.627 ' HG2' ' OD1' ' A' ' 59' ' ' ASN . 59.8 pttt 177.54 -48.73 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.518 0.675 . . . . 0.0 109.822 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.74 57.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.107 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.16 113.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.678 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.4 p -80.22 -178.58 6.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.242 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.17 -9.51 21.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.25 -59.9 2.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.912 -0.644 . . . . 0.0 110.572 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -60.53 -45.87 92.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -64.37 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.834 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.2 99.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.172 -0.537 . . . . 0.0 111.997 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -55.87 -48.61 75.26 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.473 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -56.5 -43.8 80.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.171 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.5 m -67.27 -32.32 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.462 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.21 -25.7 60.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.121 0.486 . . . . 0.0 110.751 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.094 HG13 ' HB3' ' A' ' 85' ' ' GLU . 73.0 t -89.78 -63.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.503 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.642 HG23 HG12 ' A' ' 74' ' ' VAL . 21.4 p -111.73 29.24 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.59 -58.81 5.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.328 2.019 . . . . 0.0 113.401 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 17.6 ptpt -63.93 -11.15 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.685 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -47.86 -34.35 8.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.417 0.687 . . . . 0.0 111.793 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 78' ' ' LYS . 10.3 mmmm 77.44 173.45 0.2 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.566 0.746 . . . . 0.0 111.316 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 75' ' ' THR . . . -90.49 81.2 5.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.435 0.636 . . . . 0.0 110.66 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 p -100.39 -157.11 0.59 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.278 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB2' ' HB3' ' A' ' 31' ' ' PHE . 19.2 p90 -58.01 -46.25 85.58 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.95 -37.46 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.684 . . . . 0.0 110.184 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.094 ' HB3' HG13 ' A' ' 74' ' ' VAL . 6.5 mp0 -66.51 -47.04 74.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.485 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.2 m -58.63 -41.37 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.19 0.519 . . . . 0.0 110.476 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.6 -43.32 93.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.408 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -64.22 -44.39 92.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.803 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 74' ' ' VAL . 20.1 t -58.58 -57.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.907 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.06 -34.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.94 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.411 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -72.11 -38.66 69.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.01 -44.47 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.17 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.527 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.724 ' HA ' HG22 ' A' ' 105' ' ' ILE . 1.3 tm-20 -49.92 -45.8 51.37 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.377 0.671 . . . . 0.0 111.677 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.31 -56.76 9.89 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.087 0.47 . . . . 0.0 110.582 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.2 ttt180 -70.16 -46.68 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.248 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -59.38 -45.57 91.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 18.8 ttm180 -60.77 -36.09 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -91.43 -10.45 40.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.67 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 m -100.45 -65.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.217 0.532 . . . . 0.0 110.56 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 28.3 mmtp -101.7 -76.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.492 0.663 . . . . 0.0 109.284 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 88.3 tttt 163.16 -54.89 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.703 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 3.9 Cg_exo -78.37 150.66 25.55 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.547 2.165 . . . . 0.0 111.6 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.7 pp -76.53 -38.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.578 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.56 -41.07 63.24 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.466 -175.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -57.22 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 111.605 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 37.3 mm-40 -77.5 -31.35 53.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.292 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.25 -40.82 94.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.73 -39.8 95.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.618 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.25 93.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.67 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.8 mt -58.78 -49.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.294 0.568 . . . . 0.0 110.762 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.9 m -59.32 -46.63 88.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.82 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -67.02 -40.83 87.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.73 -0.213 . . . . 0.0 111.118 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -58.93 -39.15 80.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.598 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 98.3 mt -71.84 -36.95 70.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.013 0.435 . . . . 0.0 110.848 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.18 87.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.502 0.668 . . . . 0.0 109.652 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.429 ' HB2' ' HE2' ' A' ' 118' ' ' LYS . 8.0 tppt? -67.41 -19.07 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.973 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 25.7 tp -80.57 19.27 0.82 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.413 -174.078 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 120.768 0.318 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -67.07 106.76 2.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.405 0.622 . . . . 0.0 110.449 171.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.3 m-20 -79.01 172.95 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.414 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -48.66 -60.32 2.81 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.755 0.66 . . . . 0.0 112.073 -176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.07 32.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.228 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.1 t70 -56.06 -45.02 79.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.295 -175.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 19' ' ' TRP . 8.4 p -62.02 -46.19 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.373 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.82 -40.11 91.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -67.94 -42.48 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.938 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.2 mtt180 -68.63 -40.36 80.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.535 0.207 . . . . 0.0 111.137 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -66.39 -40.78 89.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.327 0.584 . . . . 0.0 109.793 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.43 -41.76 93.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.373 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -45.41 -40.95 8.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.534 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -52.98 -33.71 52.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.406 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -87.12 -41.37 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.962 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.0 mmtt -78.88 -62.75 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -86.76 -37.37 17.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.947 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.35 -11.86 56.91 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.23 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.73 68.39 0.7 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.42 0.629 . . . . 0.0 111.148 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.63 57.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.763 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -92.4 -20.96 20.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.981 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.89 77.95 1.48 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.01 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -93.8 -22.05 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.501 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 29.5 tt0 -108.29 109.73 21.14 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.194 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 55.0 tpp -104.28 124.56 49.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.6 p -101.61 143.54 31.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.723 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.5 -29.76 61.15 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.554 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.4 -58.14 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 0.0 110.763 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.07 -36.84 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 89' ' ' VAL . 11.6 t80 -69.45 -41.09 76.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.728 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.02 -39.87 79.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.206 0.527 . . . . 0.0 110.986 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -78.05 -42.38 32.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.053 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.456 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 53.2 t-105 -51.86 -38.56 56.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.5 mm? -75.46 -37.53 60.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.621 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -56.14 -56.42 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -23.64 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.767 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.21 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.844 0.354 . . . . 0.0 110.373 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.1 0.68 57.16 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.113 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -82.4 -24.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.229 0.537 . . . . 0.0 110.274 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.879 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 15.7 tp -79.38 -165.93 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.049 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.879 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 24.7 t70 -63.66 82.15 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.276 1.036 . . . . 0.0 111.51 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.428 ' OD1' ' HG3' ' A' ' 60' ' ' LYS . 25.3 t-20 -70.41 -43.24 70.42 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.284 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 65.3 mttp -134.47 -78.71 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -177.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 69.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.731 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.505 HD11 HH11 ' A' ' 97' ' ' ARG . 9.1 mt -91.6 128.18 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.21 0.529 . . . . 0.0 110.026 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 67' ' ' THR . 0.7 OUTLIER -57.92 110.75 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.367 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' OG1' ' A' ' 67' ' ' THR . . . -63.46 -30.7 78.38 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.696 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 t -62.46 -36.44 82.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.798 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.429 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 67.5 mtt -84.39 -45.6 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 63' ' ' THR . 65.7 p -60.29 -36.29 77.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.562 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.42 78.9 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.315 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 73.0 mt -60.06 -51.68 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 74' ' ' VAL . . . -55.77 -42.54 75.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.242 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.6 -43.25 89.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.78 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 m -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 73.7 mmtt -74.8 -42.03 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.228 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.799 HG23 ' HA ' ' A' ' 85' ' ' GLU . 2.5 p -70.11 -57.94 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.853 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.697 HG22 HG22 ' A' ' 74' ' ' VAL . 10.9 t 177.02 115.55 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.35 0.595 . . . . 0.0 111.304 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.09 -57.78 13.8 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.998 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.88 117.89 4.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.366 2.044 . . . . 0.0 111.589 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -77.26 -13.6 59.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.658 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.45 -61.67 2.37 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.96 0.162 . . . . 0.0 111.06 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.581 ' HD2' ' HA ' ' A' ' 41' ' ' GLU . 5.4 ttpm? -162.7 148.42 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.64 ' HB2' ' HB ' ' A' ' 75' ' ' THR . . . -108.45 -84.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.132 176.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 84' ' ' ASP . 11.1 t 177.95 -164.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 110.801 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 82' ' ' THR . 14.4 m-20 -61.31 -28.13 68.98 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.956 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.799 ' HA ' HG23 ' A' ' 74' ' ' VAL . 6.9 tm-20 -41.75 -72.84 0.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.587 0.755 . . . . 0.0 112.026 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -59.92 -38.52 82.58 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.364 0.602 . . . . 0.0 111.17 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -59.41 -46.91 87.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.375 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HE3' ' HB3' ' A' ' 84' ' ' ASP . 97.8 mttt -70.93 -47.67 57.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.634 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 85' ' ' GLU . 40.3 t -56.67 -52.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.5 mt -59.25 -41.66 89.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.888 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.9 54.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 88' ' ' LYS . 44.5 m-85 -75.3 -42.42 54.71 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.538 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.85 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.827 ' HG3' HG21 ' A' ' 105' ' ' ILE . 37.9 tt0 -59.0 -60.12 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 66' ' ' MET . 3.3 m-20 -62.03 -38.94 90.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.024 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.505 HH11 HD11 ' A' ' 62' ' ' ILE . 2.2 mmm180 -55.17 -51.59 66.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.088 175.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -72.31 -46.89 53.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.397 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.5 ttp-105 -54.16 -34.23 59.94 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.596 0.56 . . . . 0.0 111.177 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.11 -31.67 44.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.148 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 m -100.58 -75.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.72 -36.22 21.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.222 -176.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 63.4 mttp 101.9 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.227 1.811 . . . . 0.0 111.867 -173.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 27.2 Cg_exo -64.71 117.4 4.47 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.624 1.55 . . . . 0.0 111.674 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.827 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.5 pp -65.92 -38.92 83.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.977 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -59.02 -26.96 65.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 102' ' ' LYS . 35.2 t70 -63.25 -35.83 81.63 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.0 0.187 . . . . 0.0 111.198 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 112' ' ' ILE . 15.6 mm-40 -70.74 -40.79 72.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.922 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.42 -39.91 95.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.01 -49.49 76.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.244 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.54 86.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.244 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 95.1 mt -58.87 -54.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.573 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -42.36 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.963 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.83 -44.81 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.566 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 13.3 mptt -61.99 -44.07 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.583 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 112' ' ' ILE . 84.7 mt -64.61 -41.93 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.79 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.228 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 120' ' ' GLU . 12.3 ptmm? -88.31 -12.4 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.16 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 17.4 tp -69.1 32.05 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.274 0.63 . . . . 0.0 112.325 -175.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.6 mp0 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.859 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -99.59 -179.32 4.16 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.518 172.094 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.81 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 8.5 t70 -142.89 166.13 25.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.85 -48.24 8.3 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.028 0.531 . . . . 0.0 111.733 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -40.25 16.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 110.701 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.81 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -55.91 -39.2 71.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.208 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' ASP . 97.2 t -54.72 -53.5 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.068 0.461 . . . . 0.0 110.819 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -64.42 -37.16 86.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.96 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.05 -50.28 73.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.096 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 69.2 mtt180 -59.58 -45.33 92.18 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.226 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -57.02 -40.79 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.57 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.43 -43.96 13.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.439 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -55.56 21.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.415 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -59.17 -32.64 70.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.339 0.399 . . . . 0.0 111.988 -174.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.5 m -60.57 -39.19 87.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.31 0.576 . . . . 0.0 110.237 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -79.45 0.41 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.371 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -112.5 148.23 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -170.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.06 -37.08 3.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.59 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' THR . . . -87.1 15.13 6.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.743 0.306 . . . . 0.0 111.784 -174.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.27 -52.09 9.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.939 0.399 . . . . 0.0 110.286 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -36.1 46.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.19 82.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 8.0 t -102.42 -23.47 13.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.88 -174.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 101.2 6.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.918 0.389 . . . . 0.0 111.943 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 43.9 ttm -98.63 88.52 4.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 171.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -61.71 149.0 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.84 94.0 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.672 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 48' ' ' ASP . 32.1 ttpt -74.98 -20.18 59.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -71.79 -46.88 56.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 86.3 t80 -63.74 -44.48 93.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.046 174.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 10.9 t70 -55.05 -41.79 71.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.521 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.814 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 53.6 tttm -79.12 -48.07 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.396 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.487 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 20.3 t-105 -54.89 -34.06 62.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.358 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -81.28 -36.93 29.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.992 -177.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 46.8 pttt -81.62 -33.22 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.353 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -42.43 94.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.35 78.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.683 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.6 24.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.459 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.15 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.214 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' CB ' ' HB3' ' A' ' 51' ' ' LEU . 5.8 tp -119.45 163.49 17.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.3 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.836 ' H ' HG13 ' A' ' 62' ' ' ILE . 8.9 t70 51.95 76.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.152 0.907 . . . . 0.0 111.227 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -164.65 70.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.39 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm 74.7 -59.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.86 0.864 . . . . 0.0 111.841 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 6.07 12.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.261 -174.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.836 HG13 ' H ' ' A' ' 58' ' ' ASP . 41.6 mm -95.35 101.17 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.567 0.698 . . . . 0.0 110.028 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -104.22 -152.51 0.46 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.793 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.12 -28.82 4.8 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 69' ' ' ILE . 5.8 t -77.29 -47.36 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.681 -0.305 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.2 mtp -61.33 -46.36 90.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.444 HG21 HG23 ' A' ' 62' ' ' ILE . 81.2 p -75.37 -39.3 59.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.846 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.62 -43.95 94.12 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.591 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 85.1 mt -58.55 -48.33 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.531 0.205 . . . . 0.0 110.575 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -58.33 -51.15 71.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.088 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' O ' HG22 ' A' ' 74' ' ' VAL . 32.3 m-85 -60.08 -43.03 95.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.715 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 14.6 t -59.0 -37.87 77.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 74.9 mmtt -69.88 -36.13 75.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.697 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.965 HG11 ' HB ' ' A' ' 89' ' ' VAL . 5.0 m -76.1 -27.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.998 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.843 HG22 HG23 ' A' ' 74' ' ' VAL . 5.9 t -178.18 -46.45 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' A' ' 72' ' ' SER . . . 138.13 -79.28 0.3 Allowed Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.21 137.28 23.41 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.927 2.418 . . . . 0.0 111.319 173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -72.85 -12.49 61.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.68 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.87 -60.84 1.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.371 0.668 . . . . 0.0 112.397 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HG2' ' N ' ' A' ' 81' ' ' ALA . 54.1 tttt 175.17 165.53 0.29 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.622 ' N ' ' HG2' ' A' ' 80' ' ' LYS . . . -145.82 -64.02 0.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.593 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 13.4 p -153.37 -150.64 0.34 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.627 -166.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -93.6 -31.54 14.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.518 0.675 . . . . 0.0 110.076 161.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.92 -27.8 39.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.858 ' HB2' ' HB ' ' A' ' 74' ' ' VAL . 8.0 pm0 -55.47 -40.78 72.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.991 0.359 . . . . 0.0 110.325 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.712 ' HA ' HG12 ' A' ' 89' ' ' VAL . 3.3 m -67.6 -39.19 84.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.11 -44.57 83.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HB2' HG12 ' A' ' 74' ' ' VAL . 74.9 mmtt -66.92 -56.58 9.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.355 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.965 ' HB ' HG11 ' A' ' 74' ' ' VAL . 13.8 p -63.02 -39.0 83.53 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.454 -173.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -61.69 -39.65 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 178.7 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.61 82.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.877 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.39 -38.74 88.2 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 89' ' ' VAL . 80.2 t -57.58 -44.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.168 175.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.81 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 105' ' ' ILE . 7.7 tp10 -52.11 -40.76 61.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.297 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.552 ' OD2' ' HG3' ' A' ' 97' ' ' ARG . 9.4 t70 -46.14 -70.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.225 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.552 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.3 mtm-85 -76.26 -24.33 54.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.713 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -64.77 -51.14 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.401 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.7 ttt-85 -73.47 -40.43 64.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.223 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.02 -55.4 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 m -72.79 -58.21 3.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.533 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.72 -77.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.658 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER 160.53 -52.3 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 110.859 176.38 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.88 116.87 4.81 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.351 2.034 . . . . 0.0 112.786 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.581 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 5.4 tt -59.28 -40.93 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.499 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -44.23 77.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.907 -175.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.06 -54.41 43.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.84 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 13.7 mm-40 -70.43 -38.43 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.836 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -40.86 97.53 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.169 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.57 -41.74 86.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.252 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.98 78.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.782 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 108' ' ' GLU . 98.6 mt -58.3 -49.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.922 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -61.81 -42.29 98.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.623 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.66 -47.78 74.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HD2' HD12 ' A' ' 119' ' ' LEU . 17.7 tppt? -56.29 -55.96 26.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.362 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.69 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 97.1 mt -66.24 -32.12 73.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.785 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.58 89.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.05 -17.76 28.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.316 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.494 HD12 ' HD2' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -98.52 14.47 28.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.425 0.631 . . . . 0.0 110.261 -177.397 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HB2' HG22 ' A' ' 24' ' ' VAL . 7.2 m0 -106.11 165.8 10.97 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 t70 -91.66 155.4 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -53.54 11.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.321 0.582 . . . . 0.0 111.522 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -78.78 -39.97 34.45 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.053 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 12.6 t70 -53.32 -42.36 66.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.867 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 19' ' ' TRP . 87.9 t -54.17 -51.27 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.378 0.608 . . . . 0.0 110.312 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.39 -29.09 67.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.179 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 98.4 mttt -69.64 -44.18 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.353 175.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.4 mtt180 -59.73 -40.67 88.83 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.382 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -52.73 -47.48 67.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.522 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.94 -44.26 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.27 69.52 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.688 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.51 -19.51 65.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.734 0.302 . . . . 0.0 111.107 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -70.81 -40.06 72.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.147 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -117.69 -77.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -113.25 115.02 27.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.73 -24.19 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.163 -1.017 . . . . 0.0 112.961 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.95 56.82 2.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.252 0.549 . . . . 0.0 110.625 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.33 -47.85 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.19 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -65.05 -32.64 74.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.98 128.99 54.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -65.39 -32.58 74.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.473 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.621 ' HB3' ' HD3' ' A' ' 80' ' ' LYS . 1.7 tp10 -177.67 -165.08 0.1 Allowed 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.54 108.71 17.45 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.183 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -68.97 120.97 15.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.338 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.14 58.53 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.761 -0.654 . . . . 0.0 113.417 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 82.6 tttt -57.71 -59.09 5.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.014 0.435 . . . . 0.0 110.642 178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.87 -38.47 85.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.16 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' CE2' HG11 ' A' ' 89' ' ' VAL . 63.4 t80 -60.55 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.27 -39.98 80.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 111.082 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 16.6 mmmt -75.96 -44.69 38.7 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -54.01 -42.47 69.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.479 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.1 mm? -71.84 -44.62 63.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.729 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.55 -43.73 68.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.61 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.86 -40.25 83.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.137 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.0 70.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.054 0.454 . . . . 0.0 110.93 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.7 28.09 13.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.833 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.35 -40.49 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.183 0.516 . . . . 0.0 110.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 6.8 tt -105.55 136.88 44.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.57 ' H ' HG13 ' A' ' 62' ' ' ILE . 47.6 t0 64.62 100.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.488 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -153.38 -48.96 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.972 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -171.04 -63.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.434 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 5.92 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.716 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.57 HG13 ' H ' ' A' ' 58' ' ' ASP . 47.6 mm -86.01 114.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.373 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.6 p -124.02 163.35 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.207 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -18.94 72.97 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.4 m -70.88 -56.82 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.02 -46.77 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 111.005 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.3 p -68.21 -38.17 81.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.13 -45.83 92.16 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.419 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.69 -44.88 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.552 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -58.57 -54.34 48.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.728 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -59.08 -42.81 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -56.77 -35.48 68.71 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -78.79 -35.96 43.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.171 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 89' ' ' VAL . 93.8 t -63.59 -67.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.795 174.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.823 HG22 HG12 ' A' ' 74' ' ' VAL . 3.2 t -175.67 99.37 0.07 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.591 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.61 -53.17 45.87 Favored Glycine 0 CA--C 1.518 0.274 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.22 -171.53 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.285 1.99 . . . . 0.0 112.449 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.723 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 11.7 mptt -82.47 -10.53 58.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.55 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.628 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 14.3 tmtt? -45.42 -35.05 3.44 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 56.4 mttp 72.55 174.54 0.29 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.222 0.609 . . . . 0.0 112.021 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 1.046 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -128.21 -81.99 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.976 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 10.9 t 169.89 -154.46 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -174.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 48.2 p90 -59.28 -32.95 70.5 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.953 -0.467 . . . . 0.0 110.488 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.727 ' H ' HG23 ' A' ' 82' ' ' THR . 28.2 t70 -61.84 -34.06 75.28 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 1.046 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 21.2 tt0 -51.98 -54.62 27.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.622 174.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -49.24 69.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.807 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 84' ' ' ASP . 1.9 ptmt -62.38 -36.08 81.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.599 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' HG22 ' A' ' 74' ' ' VAL . 30.4 mttp -59.12 -50.55 73.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.153 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.87 HG22 HG21 ' A' ' 74' ' ' VAL . 4.7 t -58.67 -49.43 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.015 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.2 mm? -62.36 -35.05 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -178.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.83 58.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.44 -45.37 93.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 89' ' ' VAL . 25.8 m -64.79 -45.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.36 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.688 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 105' ' ' ILE . 34.7 tt0 -60.14 -55.42 34.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 30.0 t70 -55.36 -49.18 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' HG3' ' A' ' 108' ' ' GLU . 0.5 OUTLIER -62.41 -47.76 82.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.759 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . . . -74.8 -41.46 59.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -65.98 -49.34 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.4 pt20 -73.82 -19.49 60.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.164 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -92.68 -59.42 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 110.161 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -100.73 -76.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 33.6 mttt 167.1 -58.47 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.209 1.004 . . . . 0.0 110.619 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 103' ' ' LYS . 15.9 Cg_exo -70.83 152.32 63.67 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.511 2.141 . . . . 0.0 112.636 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 95' ' ' GLU . 5.1 tt -91.05 -38.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.466 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.66 23.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.254 -172.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -52.08 -50.63 61.18 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.697 0.284 . . . . 0.0 111.623 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.5 mm-40 -73.67 -35.84 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.62 -45.45 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.752 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.69 -35.18 77.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.016 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.707 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -63.44 -47.49 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.4 mt -57.56 -49.29 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.365 0.602 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -59.29 -41.82 89.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.297 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.278 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 60.9 mttm -53.0 -52.02 59.73 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.53 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 119' ' ' LEU . 91.9 mt -59.48 -40.39 86.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.527 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.23 92.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.199 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.97 -15.56 60.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.314 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.763 HD12 HD23 ' A' ' 116' ' ' LEU . 84.9 mt -79.78 31.68 0.25 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.653 0.263 . . . . 0.0 111.175 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.701 178.278 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CZ2' ' HG ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -66.51 142.21 57.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.568 0.699 . . . . 0.0 111.622 177.21 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.723 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 13.9 t70 -78.7 167.89 20.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.445 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -50.58 -40.5 52.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.28 -41.08 18.73 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.394 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.723 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -64.84 -39.63 93.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.625 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.79 -39.19 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -86.56 -49.12 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.828 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.558 ' HE2' ' N ' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -59.96 -38.97 84.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.715 -175.454 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.1 -38.49 62.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.444 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -76.27 -44.63 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.31 -46.08 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.056 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -56.38 22.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -60.27 -27.88 67.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 0.0 111.115 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.4 m -74.22 -43.17 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.598 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -63.4 -39.85 95.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.766 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -82.98 -46.93 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.906 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.29 41.76 2.92 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.78 108.89 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.45 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.34 -16.56 13.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.966 0.413 . . . . 0.0 111.435 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -114.68 47.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.828 0.823 . . . . 0.0 109.77 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -144.89 131.87 20.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.373 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m 65.35 39.02 5.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 110.748 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.55 107.42 3.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 tpp -85.28 149.92 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.321 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.8 p -87.05 154.83 20.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.643 0.259 . . . . 0.0 110.726 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.97 -36.15 60.15 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.597 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 34.6 ttpt -61.75 -49.46 76.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -72.13 -32.25 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.674 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HE2' HG11 ' A' ' 89' ' ' VAL . 36.7 t80 -68.32 -46.47 70.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.65 -36.05 77.73 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.548 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.789 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -71.06 -51.34 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.533 -176.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -58.22 -38.3 76.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.692 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.2 mm? -75.6 -35.85 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.728 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 19.0 ttmm -65.92 -35.92 81.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.933 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.46 -28.38 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 111.147 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.7 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.64 6.42 65.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' HB ' HD12 ' A' ' 51' ' ' LEU . 22.5 t -91.0 -35.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.399 0.618 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 9.2 tp -120.0 151.44 38.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.579 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 23.8 t70 -121.13 -94.99 0.49 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.579 ' HB2' ' O ' ' A' ' 58' ' ' ASP . 11.6 t-20 165.12 -45.73 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.812 0.695 . . . . 0.0 109.311 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -101.68 -49.05 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.796 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.46 87.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.231 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ASP . 47.7 mm -67.97 125.39 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.497 0.665 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 1.6 m -63.58 138.75 58.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.774 -176.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.68 -37.94 93.06 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.6 m -60.27 -51.76 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.085 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ttt -58.75 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.214 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 63' ' ' THR . 10.2 t -67.92 -36.64 80.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.25 97.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.268 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 65' ' ' THR . 73.4 mt -64.69 -38.25 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.699 0.285 . . . . 0.0 110.242 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.26 -52.82 63.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 74' ' ' VAL . 21.3 m-85 -57.93 -43.55 86.37 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.962 0.411 . . . . 0.0 111.199 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.15 -28.17 69.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.056 0.455 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.688 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -84.75 -36.14 21.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -177.086 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.941 ' HB ' ' HG2' ' A' ' 85' ' ' GLU . 34.4 m -66.76 -43.67 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.4 HG22 HG23 ' A' ' 74' ' ' VAL . 9.6 t 178.49 -22.15 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.66 -84.21 0.36 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.629 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -83.59 134.05 6.36 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.57 2.18 . . . . 0.0 112.168 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -67.08 -11.89 58.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -54.26 -35.53 62.62 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.618 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -118.41 99.62 6.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 111.258 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HA ' ' CG ' ' A' ' 85' ' ' GLU . . . -112.8 86.18 2.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.038 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -117.97 -157.98 0.69 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.723 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -39.15 -71.51 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.14 -30.86 69.19 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.941 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 15.9 tm-20 -61.24 -59.31 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.631 ' HA ' HG23 ' A' ' 89' ' ' VAL . 30.0 m -63.23 -31.73 72.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.422 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.33 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.512 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 88' ' ' LYS . 55.6 mmtt -72.86 -41.58 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.225 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.851 HG22 HG11 ' A' ' 74' ' ' VAL . 1.3 t -59.67 -58.03 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.401 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.56 -39.32 83.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.094 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.08 60.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.645 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.99 -46.45 74.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.404 0.145 . . . . 0.0 111.382 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 89' ' ' VAL . 58.0 t -61.24 -44.73 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.62 91.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 105' ' ' ILE . 32.0 tt0 -56.76 -54.12 49.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.684 ' HA ' ' HE ' ' A' ' 99' ' ' ARG . 19.7 t70 -64.57 -35.28 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.646 -174.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -74.31 -28.66 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.086 0.47 . . . . 0.0 110.034 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -83.74 -55.02 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.684 ' HE ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.87 -23.6 53.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -171.417 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.499 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 50.4 mt-30 -80.72 -52.21 7.8 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -101.6 -49.71 3.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.774 ' HG3' ' HD2' ' A' ' 104' ' ' PRO . 3.9 tppp? -92.76 -35.97 13.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -167.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.868 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 8.2 mmpt? 97.09 -70.23 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.544 1.538 . . . . 0.0 112.022 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 5.7 Cg_exo -78.15 122.84 5.88 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.965 1.776 . . . . 0.0 112.201 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.4 pp -62.97 -38.35 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.027 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -38.31 76.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.64 -44.51 93.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.414 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.44 -36.05 71.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.45 -39.73 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.37 -43.11 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.248 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.858 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 85.4 mt -63.24 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -41.14 86.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 33.5 tt0 -63.25 -40.64 98.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 57.8 tptt -50.06 -47.84 53.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.412 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.657 ' HG ' ' CZ2' ' A' ' 19' ' ' TRP . 3.0 mm? -63.21 -39.93 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 0.0 110.341 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 29.3 mtpp -69.27 -15.56 63.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.944 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 85.5 mt -90.02 27.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 177.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.481 ' CZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -52.34 140.08 22.82 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.694 0.621 . . . . 0.0 111.699 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 18.0 t70 -85.35 157.7 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.964 -168.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.3 -44.71 65.2 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.844 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -39.43 17.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.479 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 1.9 t70 -50.54 -50.1 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.272 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.8 m -58.28 -32.81 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.671 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -73.95 -38.65 64.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -86.74 -43.16 12.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.44 HH22 ' HE3' ' A' ' 19' ' ' TRP . 43.8 ttp85 -79.2 -46.1 18.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.036 -174.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.654 ' HA ' ' HD2' ' A' ' 31' ' ' PHE . 2.1 t90 -65.67 -31.53 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.56 . . . . 0.0 110.11 -176.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.39 -44.07 72.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.803 175.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.26 70.54 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.229 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.654 ' HD2' ' HA ' ' A' ' 28' ' ' TRP . 39.2 m-85 -52.79 -35.29 56.51 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.081 0.467 . . . . 0.0 111.391 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.604 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 23.5 m -84.15 -41.98 16.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.365 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -84.68 -56.45 3.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -109.39 -78.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.626 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 -111.64 0.42 Allowed Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 177.09 170.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.916 0.486 . . . . 0.0 110.193 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.52 -42.89 1.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 m -79.23 -6.77 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.546 0.688 . . . . 0.0 110.289 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.77 136.01 38.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.159 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.0 m -155.56 -37.35 0.09 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.828 0.347 . . . . 0.0 111.211 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -114.62 119.86 38.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 111.405 -173.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.8 mmt -103.84 147.81 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.719 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -129.19 143.79 50.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.46 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.79 94.5 Favored Glycine 0 C--O 1.225 -0.465 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.58 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.32 -51.35 70.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.39 -46.99 77.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.93 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.83 -40.17 95.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.668 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 14.2 t70 -61.23 -29.73 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.61 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -84.79 -48.04 9.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -51.01 -44.88 61.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.093 175.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 10.1 tp -86.13 -34.05 20.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.352 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 27.9 tptt -63.18 -46.36 87.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.727 0.299 . . . . 0.0 110.223 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -70.26 -36.39 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.446 . . . . 0.0 110.567 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.94 43.34 6.4 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.138 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 t -126.55 -4.38 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.418 0.628 . . . . 0.0 110.009 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 59.2 tp -92.37 -37.09 12.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -123.1 -75.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.529 -172.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 56.98 18.28 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 73.45 -46.36 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.747 0.819 . . . . 0.0 111.766 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.51 -28.16 64.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.86 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.39 134.72 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.659 ' O ' HG22 ' A' ' 67' ' ' THR . 76.3 p -98.6 138.94 35.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.882 -172.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.36 -21.35 56.92 Favored Glycine 0 N--CA 1.453 -0.223 0 O-C-N 123.946 0.778 . . . . 0.0 112.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 t -75.04 -40.99 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.724 -0.28 . . . . 0.0 110.793 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 tpt -68.8 -53.13 23.42 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.645 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.62 -37.63 88.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.098 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.09 -45.69 95.56 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.543 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.8 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.28 89.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.7 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 74' ' ' VAL . 82.7 t80 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.749 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.5 m -59.74 -27.27 66.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.305 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.36 -42.13 16.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 ' HB ' ' A' ' 89' ' ' VAL . 27.4 m -65.44 -30.82 51.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 111.753 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.817 HG22 ' HB2' ' A' ' 81' ' ' ALA . 13.2 p -93.54 -74.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.35 -108.87 3.25 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.907 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 75' ' ' THR . 51.0 Cg_endo -68.42 -175.25 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 123.073 2.516 . . . . 0.0 113.938 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -60.77 -34.47 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.851 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -43.16 -72.27 0.06 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.902 0.751 . . . . 0.0 112.778 -169.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 16.2 mttt 171.49 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.648 0.593 . . . . 0.0 110.536 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.817 ' HB2' HG22 ' A' ' 75' ' ' THR . . . -165.29 110.81 0.91 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.888 0.851 . . . . 0.0 109.059 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 83' ' ' PHE . 1.2 m -76.83 177.72 7.42 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.126 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.614 ' H ' HG22 ' A' ' 82' ' ' THR . 33.9 m-85 -54.31 -32.11 55.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.903 0.481 . . . . 0.0 111.742 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.802 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 27.9 t70 -59.28 -29.38 67.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.801 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.726 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 11.1 tm-20 -48.64 -63.67 1.02 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.06 0.544 . . . . 0.0 111.315 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 m -59.33 -41.91 90.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.268 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 84' ' ' ASP . 15.0 pttp -69.71 -35.19 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.363 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' O ' ' HD1' ' A' ' 92' ' ' PHE . 25.4 mttp -69.12 -61.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.753 ' HB ' HG11 ' A' ' 74' ' ' VAL . 12.2 p -62.33 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.587 -171.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 tp -70.13 -35.69 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.704 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -43.53 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.877 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 88' ' ' LYS . 13.5 m-85 -60.16 -46.64 89.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 89' ' ' VAL . 22.5 m -64.24 -44.9 97.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.906 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.06 74.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.225 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 105' ' ' ILE . 41.7 tt0 -63.35 -44.53 94.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.543 -174.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.68 -35.99 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.459 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.0 -46.46 29.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.13 35.33 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.274 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.24 -25.04 65.89 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -172.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.514 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 44.9 mt-30 -79.06 -27.42 43.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 177.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -97.64 -66.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.475 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 27.4 mtpt -101.11 -77.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.211 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 83.4 tttt 169.1 -60.15 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 O-C-N 123.673 0.608 . . . . 0.0 111.652 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 5.3 Cg_exo -79.57 130.78 9.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.517 2.145 . . . . 0.0 113.766 -171.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -73.34 -42.53 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.747 176.238 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.52 -41.73 97.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.282 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.2 -40.09 92.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.924 0.393 . . . . 0.0 110.794 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 112' ' ' ILE . 7.3 tp10 -67.4 -48.61 66.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.26 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.6 tp -65.85 -37.87 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.88 -45.86 89.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.862 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -59.49 -50.79 72.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.69 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.8 mt -54.49 -49.45 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 110.627 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 m -63.02 -44.43 95.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.546 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.7 -38.79 67.4 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.17 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 53.9 mtpt -56.83 -38.78 73.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.587 0.232 . . . . 0.0 111.171 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 56.0 mt -67.98 -42.16 81.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.61 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.786 0.803 . . . . 0.0 109.81 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 120' ' ' GLU . 29.0 ttpt -73.74 -15.34 61.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.617 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 tp -76.54 26.53 0.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 118' ' ' LYS . 46.5 mt-10 . . . . . 0 C--O 1.234 0.285 0 C-N-CA 123.869 0.868 . . . . 0.0 111.17 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.643 ' HB3' ' HG3' ' A' ' 120' ' ' GLU . 8.4 p30 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.555 ' HB3' HG22 ' A' ' 24' ' ' VAL . 76.0 m95 -57.02 92.32 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.234 -174.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.92 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 11.4 t70 -106.38 165.66 11.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.441 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -39.65 -47.8 2.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.269 0.557 . . . . 0.0 111.442 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.39 -40.75 16.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.348 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.92 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 10.8 t70 -64.06 -42.88 96.85 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.727 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 19' ' ' TRP . 97.8 t -59.19 -44.62 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 0.0 110.076 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.17 -31.98 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.838 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG3' ' HD2' ' A' ' 27' ' ' ARG . 19.0 ptpt -68.39 -40.43 81.34 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' HG3' ' A' ' 26' ' ' LYS . 1.2 mpt_? -66.82 -44.94 79.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' HD12 ' A' ' 90' ' ' LEU . 35.7 m0 -58.25 -42.36 86.24 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.521 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.52 -43.84 89.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.775 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HD2' ' A' ' 34' ' ' PHE . . . -51.21 -43.59 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.657 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -59.94 -61.5 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 111.511 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.5 t -70.35 -40.36 74.11 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -171.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 4.0 ttmp? -81.9 -46.21 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.725 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 89.3 m-85 -98.12 -57.58 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.56 . . . . 0.0 110.794 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 158.31 -48.63 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . . . 169.58 148.94 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 123.711 0.804 . . . . 0.0 109.024 176.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.75 -56.35 4.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -153.68 86.95 1.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.826 0.822 . . . . 0.0 109.776 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.41 75.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.25 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.5 t -81.14 -21.3 39.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.123 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.32 145.94 34.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.553 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 52.2 tpp -144.43 87.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.172 0.51 . . . . 0.0 109.755 175.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.78 HG22 ' HG2' ' A' ' 78' ' ' LYS . 1.2 p -87.26 159.85 18.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.059 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.84 -47.49 78.62 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 114.348 -171.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.4 ttpt -73.13 -35.41 66.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.217 0.509 . . . . 0.0 111.155 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.59 -35.69 75.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.756 0.312 . . . . 0.0 110.665 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -69.9 -36.5 75.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 9.9 t70 -59.77 -28.28 67.26 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.392 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 94.6 mttt -72.22 -46.45 56.03 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -59.89 -36.56 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.221 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 4.1 mm? -79.91 -54.5 5.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.732 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 7.4 tmtt? -71.27 -46.3 61.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.553 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -75.35 -22.03 57.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.948 0.404 . . . . 0.0 111.031 -171.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -75.01 -34.03 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.29 13.13 9.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.555 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.67 -49.99 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.152 0.501 . . . . 0.0 110.104 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.896 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 19.6 tp -82.88 86.6 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.315 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HB3' HG12 ' A' ' 62' ' ' ILE . 16.3 t70 -77.56 -35.35 53.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.848 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' H ' ' HB ' ' A' ' 62' ' ' ILE . 60.9 t30 69.69 -46.62 0.59 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.989 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.99 -59.96 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.027 0.441 . . . . 0.0 110.238 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.53 -4.16 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.301 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.9 mm -100.99 131.6 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 110.05 15.79 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.821 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.74 -16.18 67.62 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.485 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -71.7 -49.01 43.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.429 ' HG2' ' HB2' ' A' ' 96' ' ' ASP . 14.8 tpt -75.15 -47.83 26.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.238 0.542 . . . . 0.0 110.356 -178.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.503 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 75.5 p -70.46 -37.89 74.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.469 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.72 95.39 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.426 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.6 mt -68.22 -39.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.93 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.667 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 67' ' ' THR . 35.3 m-85 -55.84 -44.9 78.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.446 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 m -69.49 -36.32 76.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.802 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -72.39 -30.69 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.324 0.583 . . . . 0.0 110.272 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.127 HG21 ' HB ' ' A' ' 89' ' ' VAL . 31.7 t -71.62 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.074 175.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.564 ' O ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 p -76.36 -77.32 0.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.401 -175.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.12 -98.54 2.25 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 75' ' ' THR . 23.4 Cg_endo -62.4 159.78 34.35 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.483 2.122 . . . . 0.0 111.569 169.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.78 ' HG2' HG22 ' A' ' 43' ' ' THR . 25.8 ttpt -78.05 -13.96 59.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.186 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HD3' ' HB2' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -53.75 -60.85 2.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.139 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 81' ' ' ALA . 34.3 ttmt -167.62 167.49 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 0.0 110.751 -171.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 80' ' ' LYS . . . -109.87 92.02 3.88 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 170.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' OE1' ' A' ' 85' ' ' GLU . 3.9 t -60.39 -177.52 0.07 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.378 -1.283 . . . . 0.0 112.89 -173.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -48.13 -71.59 0.07 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -162.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 16.3 t70 -72.04 -30.43 65.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.004 0.43 . . . . 0.0 110.383 -174.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 74' ' ' VAL . 4.7 mp0 -48.46 -54.61 13.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.298 174.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.8 m -58.69 -39.15 79.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.169 0.509 . . . . 0.0 111.005 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -63.86 -40.77 97.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.677 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 69.0 mttm -60.23 -55.45 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.23 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 1.127 ' HB ' HG21 ' A' ' 74' ' ' VAL . 7.7 p -59.88 -45.57 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.809 -172.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' CZ2' ' A' ' 28' ' ' TRP . 20.8 mt -64.85 -32.44 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.768 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -46.24 54.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.47 -44.06 92.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.621 0.248 . . . . 0.0 111.631 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 89' ' ' VAL . 94.6 t -62.16 -45.45 98.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.37 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.31 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.664 ' HG3' HG21 ' A' ' 105' ' ' ILE . 42.8 tt0 -55.75 -49.0 74.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.895 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB2' ' HG2' ' A' ' 66' ' ' MET . 36.0 t70 -61.44 -51.32 69.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.62 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 97' ' ' ARG . 19.7 ttt180 -58.92 -42.94 90.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.719 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.616 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -62.46 -53.65 51.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 62.9 mtm180 -63.69 -26.47 68.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.193 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.43 -45.24 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 t -74.2 -75.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.827 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 103' ' ' LYS . 40.7 ttmt -101.81 -76.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 63.8 pttt 170.12 -40.27 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.191 0.932 . . . . 0.0 111.828 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.483 ' HD3' ' CG ' ' A' ' 103' ' ' LYS . 1.2 Cg_endo -85.1 128.57 3.69 Favored 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 122.41 2.073 . . . . 0.0 111.842 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.7 pp -68.28 -38.35 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.38 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.93 83.73 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.35 -45.13 76.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.108 0.48 . . . . 0.0 111.111 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -67.36 -43.89 80.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.36 -34.13 77.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.04 0.448 . . . . 0.0 110.331 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLU . 9.4 t70 -60.36 -46.04 91.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.739 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.75 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.1 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 92.6 mt -66.78 -42.68 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.632 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -62.82 -45.72 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ASP . 51.2 mt-10 -61.49 -40.22 93.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.553 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 58.5 tptt -49.37 -53.1 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.366 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 54' ' ' ALA . 62.4 mt -73.35 -32.45 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.62 97.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.234 0.54 . . . . 0.0 110.426 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -82.08 -17.78 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.426 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 12.2 mt -94.29 30.22 2.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.38 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.643 ' HG3' ' HB3' ' A' ' 18' ' ' ASN . 37.9 tt0 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 124.543 1.152 . . . . 0.0 112.384 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 113' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.446 -0.664 0 CA-C-O 121.761 0.791 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 t70 -68.88 159.27 32.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -45.0 -51.47 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.4 0.619 . . . . 0.0 111.276 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.09 -39.67 60.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.701 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' N ' ' A' ' 20' ' ' ASP . 17.4 t70 -58.0 -39.34 78.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.914 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 20' ' ' ASP . 84.5 t -52.83 -45.48 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.095 0.474 . . . . 0.0 110.43 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -68.24 -41.14 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.278 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -58.26 -54.35 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.451 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -65.15 -38.3 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.659 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.594 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 4.2 m0 -67.12 -53.82 27.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 111.021 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.83 -43.08 76.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.291 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.51 9.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 83' ' ' PHE . 53.9 m-85 . . . . . 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.678 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 85.7 mtp . . . . . 0 CA--C 1.513 -0.468 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -54.85 154.75 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.943 0.777 . . . . 0.0 111.269 -177.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.41 -36.5 38.08 Favored Glycine 0 C--O 1.226 -0.403 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.101 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 31.4 ttpt -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.137 0.494 . . . . 0.0 110.821 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.61 -36.57 57.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.222 -175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -70.21 -40.21 74.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.647 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.334 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -45.19 60.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.792 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -53.77 -35.58 61.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.542 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.1 mm? -79.67 -49.21 12.45 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 83.8 mttt -70.52 -33.99 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.26 -26.36 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.324 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.29 -30.73 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.91 4.48 58.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.314 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 93' ' ' VAL . 38.9 t -83.51 -50.74 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.296 0.57 . . . . 0.0 109.927 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 7.3 tt -107.12 92.4 4.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.06 -33.69 50.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.667 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 8.8 t-20 60.76 28.49 18.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 122.28 1.038 . . . . 0.0 109.389 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -122.98 -48.36 2.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.299 -174.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.32 -19.55 6.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.5 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -64.8 164.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.471 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.9 p -74.84 152.41 38.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.44 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.9 -22.84 40.71 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 172.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -61.43 -58.88 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.847 -0.676 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -46.66 73.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.3 p -67.07 -51.34 55.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.089 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.7 86.5 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.713 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.69 -30.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.521 0.201 . . . . 0.0 110.61 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.62 -57.91 10.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.513 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.49 -43.92 93.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.019 0.438 . . . . 0.0 110.937 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -59.91 -27.06 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.441 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -93.9 -47.69 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.567 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.791 HG11 ' HB ' ' A' ' 89' ' ' VAL . 34.0 m -67.2 -58.71 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.506 ' N ' HG23 ' A' ' 74' ' ' VAL . 40.5 p -88.95 -54.91 3.91 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.74 -0.6 . . . . 0.0 111.056 -175.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -172.725 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' OE2' ' A' ' 85' ' ' GLU . 14.2 t . . . . . 0 CA--C 1.536 0.436 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 28' ' ' TRP . 89.6 t80 -44.1 -61.05 1.61 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD2' ' HE2' ' A' ' 88' ' ' LYS . 16.0 t0 -58.68 -52.65 64.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.391 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 82' ' ' THR . 1.9 mp0 -55.62 -37.5 68.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.5 m -68.06 -42.58 80.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.257 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -71.99 -27.15 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.519 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 84' ' ' ASP . 68.5 mttm -62.39 -56.37 18.93 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.791 ' HB ' HG11 ' A' ' 74' ' ' VAL . 7.1 p -64.54 -41.18 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.351 -174.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.594 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 34.9 mt -60.63 -35.76 76.97 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.911 0.386 . . . . 0.0 110.303 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.94 -44.34 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -62.2 -45.72 92.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.679 0.276 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 56' ' ' VAL . 61.1 t -63.97 -44.42 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.895 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.5 96.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.677 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' A' ' 99' ' ' ARG . 43.6 tt0 -61.77 -36.3 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.268 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 8.9 t70 -36.89 -64.88 0.32 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.005 0.815 . . . . 0.0 112.513 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.6 mtm180 -95.25 -29.3 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -61.5 -44.4 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.899 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -73.63 -25.62 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.665 -174.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 78.6 mt-30 -64.84 -47.93 76.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 111.259 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -97.3 -55.36 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.721 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 69.7 tttt -90.92 -47.29 7.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.673 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.899 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 54.6 mtpt 105.28 -52.27 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 125.755 1.622 . . . . 0.0 113.774 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.43 120.82 8.68 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.831 1.688 . . . . 0.0 112.596 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -40.08 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.197 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.689 HE22 HD23 ' A' ' 109' ' ' LEU . 28.5 tp60 -54.81 -32.52 60.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.327 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.93 -48.39 80.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.9 tp10 -75.5 -31.23 60.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.618 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.689 HD23 HE22 ' A' ' 106' ' ' GLN . 22.0 tp -61.31 -48.36 81.73 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.833 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.25 -39.76 79.99 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB1' ' HE3' ' A' ' 115' ' ' LYS . . . -60.36 -52.08 66.78 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.496 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 108' ' ' GLU . 95.0 mt -51.53 -53.11 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.046 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 19' ' ' TRP . 3.7 m -59.65 -42.2 92.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.506 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.93 -40.83 78.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.261 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HE3' ' HB1' ' A' ' 111' ' ' ALA . 87.7 mttt -61.27 -57.52 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.877 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 119' ' ' LEU . 95.1 mt -66.72 -16.26 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.039 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.84 83.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.966 0.412 . . . . 0.0 110.587 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -103.65 -17.21 15.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.393 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.596 ' HB3' ' HA ' ' A' ' 116' ' ' LEU . 15.5 tp -85.08 17.39 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.417 178.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.468 ' CD2' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.313 0 CA-C-O 121.249 0.547 . . . . 0.0 112.231 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' VAL . 12.7 t70 -79.9 151.65 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.1 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.664 ' HB2' ' HB2' ' A' ' 117' ' ' ALA . 26.4 t70 -45.48 -52.86 9.67 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.616 0.572 . . . . 0.0 111.846 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.2 80.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.469 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.12 -39.37 94.5 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.06 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 20' ' ' ASP . 82.7 t -51.34 -55.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -64.03 -40.79 97.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.374 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -68.35 -41.03 81.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -53.4 -46.64 69.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.607 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -62.81 -46.59 87.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.25 -44.28 88.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.84 75.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.864 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 111.038 -178.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 13.5 tpt . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 p -70.2 123.49 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.607 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.3 18.67 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.592 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -61.54 -39.77 92.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.053 0.454 . . . . 0.0 111.062 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.33 -33.59 74.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.686 ' HE2' HG11 ' A' ' 89' ' ' VAL . 14.7 t80 -71.91 -36.49 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.887 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.54 -41.27 72.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.171 0.51 . . . . 0.0 110.548 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -75.78 -45.41 36.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -55.18 -38.76 68.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.378 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.963 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 2.5 mm? -75.72 -36.16 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -72.41 -42.23 65.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.041 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.55 -45.37 83.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.778 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.12 67.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.721 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.93 17.5 35.0 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.356 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.48 -36.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 110.441 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.963 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 21.3 tp -86.65 97.1 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.74 -56.06 4.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.031 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 m-20 64.57 9.11 4.84 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -103.45 -49.11 3.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.46 -11.52 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.623 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 66.2 mt -103.91 120.98 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.265 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 67' ' ' THR . 12.5 p -115.67 -178.98 3.52 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.35 -29.73 23.73 Favored Glycine 0 C--N 1.332 0.351 0 CA-C-N 114.862 -1.063 . . . . 0.0 114.227 -175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -70.78 -34.05 71.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.546 0.673 . . . . 0.0 111.456 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.23 -57.28 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.152 0.501 . . . . 0.0 109.982 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -63.34 -37.4 87.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.437 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.36 -46.74 89.75 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.836 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.49 -44.09 98.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.736 0.303 . . . . 0.0 110.495 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.14 -50.59 72.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.328 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' HA ' HG22 ' A' ' 74' ' ' VAL . 75.9 t80 -58.99 -43.72 91.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.034 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 m -59.3 -30.85 68.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.447 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -83.21 -39.35 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 89' ' ' VAL . 13.5 m -73.26 -24.7 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.634 HG23 HG23 ' A' ' 74' ' ' VAL . 25.5 p -130.02 -86.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -174.249 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 8.9 t . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.36 -34.72 69.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.053 0.388 . . . . 0.0 110.553 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 82' ' ' THR . 15.0 t70 -54.57 -49.81 69.46 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.949 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 89' ' ' VAL . 41.3 tt0 -44.5 -53.71 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.051 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.9 m -61.15 -52.22 65.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.003 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.52 68.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.61 0.243 . . . . 0.0 111.137 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.554 ' CB ' HG12 ' A' ' 74' ' ' VAL . 29.6 mmtp -65.14 -46.33 81.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.669 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.686 HG11 ' HE2' ' A' ' 47' ' ' PHE . 29.7 t -57.95 -50.69 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.779 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.96 -36.45 72.6 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' GLU . . . -69.74 -40.16 76.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -75.15 -40.6 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 89' ' ' VAL . 21.2 m -64.4 -44.64 97.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.724 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.59 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.82 ' HG2' HG21 ' A' ' 105' ' ' ILE . 1.1 tm-20 -49.67 -61.07 2.33 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.713 0.633 . . . . 0.0 110.416 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.97 -41.4 82.84 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.685 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.802 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -66.27 -50.37 63.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -69.8 -35.44 74.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 35.2 ttp180 -60.0 -38.77 83.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.548 ' NE2' HH22 ' A' ' 97' ' ' ARG . 49.4 mt-30 -86.5 -20.65 27.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 t -80.94 -76.19 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.431 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -100.99 -76.03 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 20.5 mtpt 173.04 -54.18 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 125.079 1.351 . . . . 0.0 109.204 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 55.7 Cg_endo -72.17 133.37 21.11 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.054 1.836 . . . . 0.0 112.309 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.82 HG21 ' HG2' ' A' ' 95' ' ' GLU . 19.4 pt -75.15 -38.3 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -52.12 -27.93 15.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.46 -56.12 26.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.744 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 7.3 tp10 -66.42 -32.08 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.13 -51.1 65.32 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.675 ' HA ' ' OG1' ' A' ' 113' ' ' THR . 28.7 t70 -69.04 -26.81 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.144 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.56 -44.46 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.103 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.81 -49.95 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.51 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.675 ' OG1' ' HA ' ' A' ' 110' ' ' ASP . 22.3 p -58.89 -42.36 89.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.671 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 26.9 tt0 -65.18 -45.34 85.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 31.4 ttpt -58.61 -46.9 86.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 19' ' ' TRP . 25.7 mt -59.04 -50.21 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.016 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . . . -57.35 -38.63 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.533 -176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 22.4 ptmt -90.29 -12.68 37.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.633 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.649 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 14.2 tp -76.17 18.89 0.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -170.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.986 0.422 . . . . 0.0 110.369 -174.744 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.961 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.55 0 CA-C-O 121.588 0.708 . . . . 0.0 110.719 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.644 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 27.2 t70 -96.57 166.24 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.115 -173.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -35.17 -61.9 0.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.2 1.0 . . . . 0.0 112.664 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.871 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 34.5 t70 -55.92 -39.22 71.32 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.784 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' ASP . 94.0 t -57.04 -59.51 3.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.36 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.92 -22.3 64.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.399 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 10.3 mtpm? -54.07 -44.65 71.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 175.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -72.51 -41.65 65.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.641 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 2.2 m95 -59.15 -40.41 85.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.547 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.28 -44.82 90.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.69 -50.88 71.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 111.36 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 . . . . . 0 C--N 1.327 -0.392 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.486 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.8 mtp . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -73.49 124.17 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.224 0.535 . . . . 0.0 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.85 -23.43 77.95 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.858 -175.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -68.87 -38.26 79.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.104 0.478 . . . . 0.0 109.9 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.76 -38.53 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 86' ' ' THR . 72.1 t80 -65.42 -41.12 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.79 -37.79 77.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.278 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -74.91 -45.52 42.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.854 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.42 ' HD1' HD22 ' A' ' 51' ' ' LEU . 72.3 t-105 -51.93 -32.3 32.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.282 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.9 mm? -92.57 -36.26 13.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.893 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 60.1 tttm -73.12 -44.66 59.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.718 0.294 . . . . 0.0 111.225 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.89 -33.41 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.389 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.81 68.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.075 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.31 -2.74 59.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.393 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.2 t -76.91 -44.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.383 0.611 . . . . 0.0 109.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -107.81 83.41 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.877 174.073 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.873 ' HB3' HG12 ' A' ' 62' ' ' ILE . 11.4 t70 -54.58 -40.7 69.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.828 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 t30 70.55 -6.28 1.24 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.039 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -110.68 -54.52 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.19 0.519 . . . . 0.0 110.13 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.15 19.69 20.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.446 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.873 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.5 mm -89.8 127.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.444 0.64 . . . . 0.0 110.345 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 3.1 m -61.28 144.51 53.74 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.649 -177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.12 -25.21 61.86 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.658 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -55.9 -40.72 73.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.206 0.527 . . . . 0.0 110.71 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 63' ' ' THR . 1.9 mpt? -85.35 -59.2 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.025 -178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -66.74 -44.38 81.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.593 -173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.72 -50.02 64.53 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.41 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.03 -40.29 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.595 0.197 . . . . 0.0 110.649 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.76 -56.5 19.79 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.977 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.589 ' HA ' HG22 ' A' ' 74' ' ' VAL . 44.4 m-85 -61.55 -44.03 97.78 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.26 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.6 m -57.35 -27.81 62.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.127 -0.358 . . . . 0.0 111.817 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -83.35 -29.29 28.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.589 HG22 ' HA ' ' A' ' 71' ' ' PHE . 33.7 m -99.95 -39.83 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 t 174.24 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 108.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.994 177.784 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 11.4 t . . . . . 0 CA--C 1.533 0.318 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 69.2 t80 -62.95 -32.9 74.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.225 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.4 -44.06 68.4 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -59.14 -61.14 2.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.005 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.573 HG23 ' CE1' ' A' ' 47' ' ' PHE . 30.2 m -50.13 -48.72 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.744 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 83' ' ' PHE . 13.9 ptmm? -64.59 -36.44 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.706 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HB2' HG12 ' A' ' 74' ' ' VAL . 57.9 mtmt -74.25 -41.99 60.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.258 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 85' ' ' GLU . 31.0 t -58.76 -55.23 24.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.732 0.301 . . . . 0.0 110.565 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 36.4 mt -60.22 -44.95 94.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.355 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.44 77.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.7 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -70.74 -51.72 25.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.637 0.256 . . . . 0.0 111.022 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.62 -45.67 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.756 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.15 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HA ' HG13 ' A' ' 105' ' ' ILE . 36.8 tt0 -59.13 -68.43 0.27 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.586 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 2.2 t70 -64.91 -33.05 75.11 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.1 0.25 . . . . 0.0 111.433 -170.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -56.35 -50.74 70.65 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -74.62 -43.62 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.382 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.652 ' HB3' ' HA ' ' A' ' 96' ' ' ASP . 59.8 ttt180 -45.46 -49.46 13.44 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.99 0.916 . . . . 0.0 112.273 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -73.89 -40.55 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.864 0.364 . . . . 0.0 111.494 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -93.49 -60.08 1.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.578 ' C ' ' HD2' ' A' ' 104' ' ' PRO . 91.8 mttt -96.69 -41.41 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.94 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 51.2 mtpt 103.07 -64.31 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.993 1.717 . . . . 0.0 112.017 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 37.8 Cg_endo -66.72 108.16 1.4 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.673 1.582 . . . . 0.0 113.195 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.59 -40.52 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.694 178.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.91 -39.51 74.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.176 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.17 -40.04 90.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.834 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 10.6 tp10 -63.98 -44.56 92.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.8 -41.67 99.38 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.42 -40.48 94.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.28 94.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.76 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 108' ' ' GLU . 94.1 mt -59.12 -49.4 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.9 m -57.22 -48.57 78.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.558 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -38.93 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.678 0.275 . . . . 0.0 111.0 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -59.7 -42.17 92.4 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.961 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 46.0 mt -59.81 -38.41 81.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.97 84.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.453 0.644 . . . . 0.0 110.379 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.36 -16.9 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.925 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt -98.99 16.19 23.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.992 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 . . . . . 0 N--CA 1.47 0.534 0 O-C-N 124.332 1.02 . . . . 0.0 112.671 178.81 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.495 ' CG ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.25 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 m-20 -60.35 148.19 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.812 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -49.6 -47.1 49.76 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.744 0.783 . . . . 0.0 110.811 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -39.4 58.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.176 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.475 ' CB ' ' HB2' ' A' ' 20' ' ' ASP . 30.9 t70 -60.13 -39.85 87.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.72 -175.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' ASP . 34.3 t -47.8 -59.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.489 0.493 . . . . 0.0 110.836 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 43.8 tptt -66.36 -44.71 82.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.675 -177.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 6.3 ttpm? -54.39 -42.99 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.187 0.518 . . . . 0.0 110.985 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 19' ' ' TRP . 3.1 ttp180 -79.63 -47.33 15.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.593 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.79 -45.58 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.237 0.542 . . . . 0.0 111.032 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.8 t70 -64.73 -43.75 92.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.668 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.173 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 83' ' ' PHE . 18.3 m-85 . . . . . 0 N--CA 1.464 0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.552 178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 ttt . . . . . 0 C--O 1.233 0.231 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -99.19 160.56 14.18 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.855 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -50.83 61.65 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.054 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -54.58 -33.98 61.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.977 0.388 . . . . 0.0 112.022 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.98 -29.02 61.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.633 0.254 . . . . 0.0 111.083 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 89' ' ' VAL . 16.8 t80 -87.71 -39.58 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.229 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -23.48 65.87 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.284 0.564 . . . . 0.0 109.698 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -68.29 -50.04 56.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.515 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -61.84 -38.59 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.38 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.4 mm? -70.45 -42.14 71.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.562 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 12.3 tmtt? -73.75 -51.82 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -73.7 -22.23 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.459 -169.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.28 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.291 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.46 19.33 18.61 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.613 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.3 t -93.8 -46.11 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.748 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 4.9 tp -93.02 28.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.339 0.59 . . . . 0.0 110.446 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.16 69.87 0.15 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.676 0.75 . . . . 0.0 109.485 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.627 ' OD1' ' HG2' ' A' ' 60' ' ' LYS . 29.0 t-20 -103.23 -69.02 0.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.452 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.627 ' HG2' ' OD1' ' A' ' 59' ' ' ASN . 59.8 pttt 177.54 -48.73 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.518 0.675 . . . . 0.0 109.822 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.74 57.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.107 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.16 113.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.678 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.4 p -80.22 -178.58 6.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.242 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.17 -9.51 21.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.25 -59.9 2.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.912 -0.644 . . . . 0.0 110.572 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -60.53 -45.87 92.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -64.37 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.834 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.2 99.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.172 -0.537 . . . . 0.0 111.997 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -55.87 -48.61 75.26 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.473 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -56.5 -43.8 80.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.171 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.5 m -67.27 -32.32 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.462 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.21 -25.7 60.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.121 0.486 . . . . 0.0 110.751 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.094 HG13 ' HB3' ' A' ' 85' ' ' GLU . 73.0 t -89.78 -63.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.503 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.642 HG23 HG12 ' A' ' 74' ' ' VAL . 21.4 p -111.73 29.24 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 174.571 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 p . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 120.337 0.113 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB2' ' HB3' ' A' ' 31' ' ' PHE . 19.2 p90 -58.01 -46.25 85.58 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.95 -37.46 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.684 . . . . 0.0 110.184 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 1.094 ' HB3' HG13 ' A' ' 74' ' ' VAL . 6.5 mp0 -66.51 -47.04 74.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.485 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.2 m -58.63 -41.37 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.19 0.519 . . . . 0.0 110.476 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.6 -43.32 93.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.408 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -64.22 -44.39 92.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.803 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 74' ' ' VAL . 20.1 t -58.58 -57.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.907 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.06 -34.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.94 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.411 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -72.11 -38.66 69.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.01 -44.47 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.17 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.527 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.724 ' HA ' HG22 ' A' ' 105' ' ' ILE . 1.3 tm-20 -49.92 -45.8 51.37 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.377 0.671 . . . . 0.0 111.677 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.31 -56.76 9.89 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.087 0.47 . . . . 0.0 110.582 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.2 ttt180 -70.16 -46.68 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.248 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -59.38 -45.57 91.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 18.8 ttm180 -60.77 -36.09 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -91.43 -10.45 40.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.67 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 m -100.45 -65.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.217 0.532 . . . . 0.0 110.56 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 28.3 mmtp -101.7 -76.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.492 0.663 . . . . 0.0 109.284 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 88.3 tttt 163.16 -54.89 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.703 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 3.9 Cg_exo -78.37 150.66 25.55 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.547 2.165 . . . . 0.0 111.6 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.7 pp -76.53 -38.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.578 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.405 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.56 -41.07 63.24 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.466 -175.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -57.22 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 111.605 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 37.3 mm-40 -77.5 -31.35 53.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.292 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.25 -40.82 94.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.73 -39.8 95.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.618 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.25 93.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.67 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.8 mt -58.78 -49.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.294 0.568 . . . . 0.0 110.762 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.9 m -59.32 -46.63 88.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.82 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -67.02 -40.83 87.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.73 -0.213 . . . . 0.0 111.118 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -58.93 -39.15 80.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.598 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 98.3 mt -71.84 -36.95 70.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.013 0.435 . . . . 0.0 110.848 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.18 87.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.502 0.668 . . . . 0.0 109.652 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 118' ' ' LYS . 8.0 tppt? -67.41 -19.07 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.973 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 25.7 tp -80.57 19.27 0.82 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.413 -174.078 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 121.405 0.622 . . . . 0.0 110.449 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.3 m-20 -79.01 172.95 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.414 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -48.66 -60.32 2.81 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.755 0.66 . . . . 0.0 112.073 -176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.07 32.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.228 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.1 t70 -56.06 -45.02 79.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.295 -175.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 19' ' ' TRP . 8.4 p -62.02 -46.19 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.373 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.82 -40.11 91.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -67.94 -42.48 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.938 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.2 mtt180 -68.63 -40.36 80.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.535 0.207 . . . . 0.0 111.137 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -66.39 -40.78 89.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.327 0.584 . . . . 0.0 109.793 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.43 -41.76 93.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.373 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -45.41 -40.95 8.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.534 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 . . . . . 0 N--CA 1.467 0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.406 178.072 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 55.0 tpp . . . . . 0 N--CA 1.449 -0.505 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.6 p -101.61 143.54 31.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.723 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.5 -29.76 61.15 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.554 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.4 -58.14 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 0.0 110.763 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.07 -36.84 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 89' ' ' VAL . 11.6 t80 -69.45 -41.09 76.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.728 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.02 -39.87 79.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.206 0.527 . . . . 0.0 110.986 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -78.05 -42.38 32.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.053 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.456 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 53.2 t-105 -51.86 -38.56 56.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.5 mm? -75.46 -37.53 60.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.621 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -56.14 -56.42 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -23.64 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.767 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.21 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.844 0.354 . . . . 0.0 110.373 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.1 0.68 57.16 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.113 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -82.4 -24.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.229 0.537 . . . . 0.0 110.274 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.879 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 15.7 tp -79.38 -165.93 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.049 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.879 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 24.7 t70 -63.66 82.15 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.276 1.036 . . . . 0.0 111.51 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.428 ' OD1' ' HG3' ' A' ' 60' ' ' LYS . 25.3 t-20 -70.41 -43.24 70.42 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.284 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 65.3 mttp -134.47 -78.71 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -177.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 69.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.731 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.505 HD11 HH11 ' A' ' 97' ' ' ARG . 9.1 mt -91.6 128.18 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.21 0.529 . . . . 0.0 110.026 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 67' ' ' THR . 0.7 OUTLIER -57.92 110.75 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' OG1' ' A' ' 67' ' ' THR . . . -63.46 -30.7 78.38 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.696 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 t -62.46 -36.44 82.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.798 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.429 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 67.5 mtt -84.39 -45.6 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 63' ' ' THR . 65.7 p -60.29 -36.29 77.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.562 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.42 78.9 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.315 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 73.0 mt -60.06 -51.68 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 74' ' ' VAL . . . -55.77 -42.54 75.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.242 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.6 -43.25 89.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.78 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 m -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 73.7 mmtt -74.8 -42.03 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.228 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.799 HG23 ' HA ' ' A' ' 85' ' ' GLU . 2.5 p -70.11 -57.94 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.853 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.697 HG22 HG22 ' A' ' 74' ' ' VAL . 10.9 t 177.02 115.55 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.35 0.595 . . . . 0.0 111.304 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.998 168.004 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 84' ' ' ASP . 11.1 t . . . . . 0 CA--C 1.531 0.232 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 110.801 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 82' ' ' THR . 14.4 m-20 -61.31 -28.13 68.98 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.956 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.799 ' HA ' HG23 ' A' ' 74' ' ' VAL . 6.9 tm-20 -41.75 -72.84 0.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.587 0.755 . . . . 0.0 112.026 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -59.92 -38.52 82.58 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.364 0.602 . . . . 0.0 111.17 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -59.41 -46.91 87.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.375 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HE3' ' HB3' ' A' ' 84' ' ' ASP . 97.8 mttt -70.93 -47.67 57.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.634 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 85' ' ' GLU . 40.3 t -56.67 -52.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.5 mt -59.25 -41.66 89.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.888 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.9 54.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 88' ' ' LYS . 44.5 m-85 -75.3 -42.42 54.71 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.538 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.85 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.827 ' HG3' HG21 ' A' ' 105' ' ' ILE . 37.9 tt0 -59.0 -60.12 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 66' ' ' MET . 3.3 m-20 -62.03 -38.94 90.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.024 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.505 HH11 HD11 ' A' ' 62' ' ' ILE . 2.2 mmm180 -55.17 -51.59 66.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.088 175.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -72.31 -46.89 53.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.397 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.5 ttp-105 -54.16 -34.23 59.94 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.596 0.56 . . . . 0.0 111.177 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.11 -31.67 44.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.148 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 m -100.58 -75.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.72 -36.22 21.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.222 -176.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 63.4 mttp 101.9 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.227 1.811 . . . . 0.0 111.867 -173.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 27.2 Cg_exo -64.71 117.4 4.47 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.624 1.55 . . . . 0.0 111.674 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.827 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.5 pp -65.92 -38.92 83.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.977 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.02 -26.96 65.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 102' ' ' LYS . 35.2 t70 -63.25 -35.83 81.63 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.0 0.187 . . . . 0.0 111.198 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 112' ' ' ILE . 15.6 mm-40 -70.74 -40.79 72.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.922 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.42 -39.91 95.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.01 -49.49 76.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.244 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.54 86.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.244 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 95.1 mt -58.87 -54.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.573 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -42.36 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.963 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.83 -44.81 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.566 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 13.3 mptt -61.99 -44.07 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.583 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 112' ' ' ILE . 84.7 mt -64.61 -41.93 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.79 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.228 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 120' ' ' GLU . 12.3 ptmm? -88.31 -12.4 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.16 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 17.4 tp -69.1 32.05 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.274 0.63 . . . . 0.0 112.325 -175.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.6 mp0 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.859 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.744 0.307 . . . . 0.0 110.518 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.81 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 8.5 t70 -142.89 166.13 25.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.85 -48.24 8.3 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.028 0.531 . . . . 0.0 111.733 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -40.25 16.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 110.701 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.81 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -55.91 -39.2 71.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.208 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' ASP . 97.2 t -54.72 -53.5 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.068 0.461 . . . . 0.0 110.819 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -64.42 -37.16 86.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.96 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.05 -50.28 73.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.096 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 69.2 mtt180 -59.58 -45.33 92.18 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.226 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -57.02 -40.79 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.57 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.43 -43.96 13.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.439 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -55.56 21.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.415 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.467 0.418 0 O-C-N 123.339 0.399 . . . . 0.0 111.988 -174.786 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 43.9 ttm . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -61.71 149.0 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.84 94.0 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.672 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 48' ' ' ASP . 32.1 ttpt -74.98 -20.18 59.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -71.79 -46.88 56.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 86.3 t80 -63.74 -44.48 93.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.046 174.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 10.9 t70 -55.05 -41.79 71.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.521 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.814 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 53.6 tttm -79.12 -48.07 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.396 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.487 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 20.3 t-105 -54.89 -34.06 62.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.358 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -81.28 -36.93 29.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.992 -177.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 46.8 pttt -81.62 -33.22 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.353 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -42.43 94.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.35 78.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.683 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.6 24.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.459 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.15 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.214 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.541 ' CB ' ' HB3' ' A' ' 51' ' ' LEU . 5.8 tp -119.45 163.49 17.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.3 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.836 ' H ' HG13 ' A' ' 62' ' ' ILE . 8.9 t70 51.95 76.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.152 0.907 . . . . 0.0 111.227 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -164.65 70.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.39 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm 74.7 -59.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.86 0.864 . . . . 0.0 111.841 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 6.07 12.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.261 -174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.836 HG13 ' H ' ' A' ' 58' ' ' ASP . 41.6 mm -95.35 101.17 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.567 0.698 . . . . 0.0 110.028 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -104.22 -152.51 0.46 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.793 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.12 -28.82 4.8 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 69' ' ' ILE . 5.8 t -77.29 -47.36 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.681 -0.305 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.2 mtp -61.33 -46.36 90.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.444 HG21 HG23 ' A' ' 62' ' ' ILE . 81.2 p -75.37 -39.3 59.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.846 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.62 -43.95 94.12 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.591 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 85.1 mt -58.55 -48.33 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.531 0.205 . . . . 0.0 110.575 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -58.33 -51.15 71.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.088 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.582 ' O ' HG22 ' A' ' 74' ' ' VAL . 32.3 m-85 -60.08 -43.03 95.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.715 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 14.6 t -59.0 -37.87 77.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 74.9 mmtt -69.88 -36.13 75.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.697 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.965 HG11 ' HB ' ' A' ' 89' ' ' VAL . 5.0 m -76.1 -27.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.998 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.843 HG22 HG23 ' A' ' 74' ' ' VAL . 5.9 t -178.18 -46.45 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' A' ' 72' ' ' SER . . . . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -174.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.716 0.293 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -93.6 -31.54 14.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.518 0.675 . . . . 0.0 110.076 161.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.92 -27.8 39.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.858 ' HB2' ' HB ' ' A' ' 74' ' ' VAL . 8.0 pm0 -55.47 -40.78 72.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.991 0.359 . . . . 0.0 110.325 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.712 ' HA ' HG12 ' A' ' 89' ' ' VAL . 3.3 m -67.6 -39.19 84.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.11 -44.57 83.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HB2' HG12 ' A' ' 74' ' ' VAL . 74.9 mmtt -66.92 -56.58 9.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.355 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.965 ' HB ' HG11 ' A' ' 74' ' ' VAL . 13.8 p -63.02 -39.0 83.53 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.454 -173.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -61.69 -39.65 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 178.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.61 82.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.877 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.39 -38.74 88.2 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 89' ' ' VAL . 80.2 t -57.58 -44.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.168 175.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.81 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 105' ' ' ILE . 7.7 tp10 -52.11 -40.76 61.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.297 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.552 ' OD2' ' HG3' ' A' ' 97' ' ' ARG . 9.4 t70 -46.14 -70.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.225 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.552 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.3 mtm-85 -76.26 -24.33 54.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.713 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -64.77 -51.14 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.401 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.7 ttt-85 -73.47 -40.43 64.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.223 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.02 -55.4 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 m -72.79 -58.21 3.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.533 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.72 -77.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.658 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER 160.53 -52.3 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 110.859 176.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.88 116.87 4.81 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.351 2.034 . . . . 0.0 112.786 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.581 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 5.4 tt -59.28 -40.93 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.499 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -44.23 77.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.907 -175.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.06 -54.41 43.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.84 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 13.7 mm-40 -70.43 -38.43 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.836 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -40.86 97.53 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.169 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.57 -41.74 86.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.252 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.98 78.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.782 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 108' ' ' GLU . 98.6 mt -58.3 -49.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.922 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -61.81 -42.29 98.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.623 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.66 -47.78 74.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HD2' HD12 ' A' ' 119' ' ' LEU . 17.7 tppt? -56.29 -55.96 26.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.362 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.69 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 97.1 mt -66.24 -32.12 73.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.785 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.58 89.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.05 -17.76 28.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.316 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.494 HD12 ' HD2' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -98.52 14.47 28.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.425 0.631 . . . . 0.0 110.261 -177.397 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HB2' HG22 ' A' ' 24' ' ' VAL . 7.2 m0 . . . . . 0 N--CA 1.458 -0.069 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 t70 -91.66 155.4 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -53.54 11.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.321 0.582 . . . . 0.0 111.522 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -78.78 -39.97 34.45 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.053 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 12.6 t70 -53.32 -42.36 66.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.867 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 19' ' ' TRP . 87.9 t -54.17 -51.27 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.378 0.608 . . . . 0.0 110.312 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.39 -29.09 67.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.179 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 98.4 mttt -69.64 -44.18 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.353 175.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.4 mtt180 -59.73 -40.67 88.83 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.382 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -52.73 -47.48 67.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.522 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.94 -44.26 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.27 69.52 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.688 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 120.734 0.302 . . . . 0.0 111.107 -178.219 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 121.209 0.528 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -68.97 120.97 15.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.338 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.14 58.53 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.761 -0.654 . . . . 0.0 113.417 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 82.6 tttt -57.71 -59.09 5.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.014 0.435 . . . . 0.0 110.642 178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.87 -38.47 85.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.16 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.445 ' CE2' HG11 ' A' ' 89' ' ' VAL . 63.4 t80 -60.55 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.27 -39.98 80.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 111.082 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 16.6 mmmt -75.96 -44.69 38.7 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -54.01 -42.47 69.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.479 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.1 mm? -71.84 -44.62 63.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.729 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.55 -43.73 68.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.61 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.86 -40.25 83.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.137 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.0 70.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.054 0.454 . . . . 0.0 110.93 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.7 28.09 13.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.833 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.35 -40.49 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.183 0.516 . . . . 0.0 110.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 6.8 tt -105.55 136.88 44.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.57 ' H ' HG13 ' A' ' 62' ' ' ILE . 47.6 t0 64.62 100.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.488 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -153.38 -48.96 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.972 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -171.04 -63.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.434 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 5.92 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.716 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.57 HG13 ' H ' ' A' ' 58' ' ' ASP . 47.6 mm -86.01 114.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.373 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.6 p -124.02 163.35 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.207 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -18.94 72.97 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.4 m -70.88 -56.82 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.02 -46.77 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 111.005 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.3 p -68.21 -38.17 81.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.13 -45.83 92.16 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.419 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.69 -44.88 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.552 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -58.57 -54.34 48.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.728 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -59.08 -42.81 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -56.77 -35.48 68.71 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -78.79 -35.96 43.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.171 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 89' ' ' VAL . 93.8 t -63.59 -67.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.795 174.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.823 HG22 HG12 ' A' ' 74' ' ' VAL . 3.2 t -175.67 99.37 0.07 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.591 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.274 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 177.512 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 10.9 t . . . . . 0 C--O 1.222 -0.346 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 48.2 p90 -59.28 -32.95 70.5 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.953 -0.467 . . . . 0.0 110.488 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.727 ' H ' HG23 ' A' ' 82' ' ' THR . 28.2 t70 -61.84 -34.06 75.28 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.747 ' HB3' ' O ' ' A' ' 82' ' ' THR . 21.2 tt0 -51.98 -54.62 27.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.622 174.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -49.24 69.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.807 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 84' ' ' ASP . 1.9 ptmt -62.38 -36.08 81.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.599 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' HG22 ' A' ' 74' ' ' VAL . 30.4 mttp -59.12 -50.55 73.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.153 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.87 HG22 HG21 ' A' ' 74' ' ' VAL . 4.7 t -58.67 -49.43 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.015 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.2 mm? -62.36 -35.05 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -178.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.83 58.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.44 -45.37 93.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 89' ' ' VAL . 25.8 m -64.79 -45.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.36 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.688 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 105' ' ' ILE . 34.7 tt0 -60.14 -55.42 34.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 30.0 t70 -55.36 -49.18 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' HG3' ' A' ' 108' ' ' GLU . 0.5 OUTLIER -62.41 -47.76 82.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.759 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . . . -74.8 -41.46 59.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -65.98 -49.34 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.4 pt20 -73.82 -19.49 60.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.164 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -92.68 -59.42 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 110.161 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -100.73 -76.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 33.6 mttt 167.1 -58.47 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.209 1.004 . . . . 0.0 110.619 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 103' ' ' LYS . 15.9 Cg_exo -70.83 152.32 63.67 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.511 2.141 . . . . 0.0 112.636 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 95' ' ' GLU . 5.1 tt -91.05 -38.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.466 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.66 23.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.254 -172.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -52.08 -50.63 61.18 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.697 0.284 . . . . 0.0 111.623 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.5 mm-40 -73.67 -35.84 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.62 -45.45 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.752 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.69 -35.18 77.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.016 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.707 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -63.44 -47.49 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.4 mt -57.56 -49.29 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.365 0.602 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -59.29 -41.82 89.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.297 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.278 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 60.9 mttm -53.0 -52.02 59.73 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.53 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 119' ' ' LEU . 91.9 mt -59.48 -40.39 86.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.527 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.23 92.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.199 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.97 -15.56 60.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.314 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.763 HD12 HD23 ' A' ' 116' ' ' LEU . 84.9 mt -79.78 31.68 0.25 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.653 0.263 . . . . 0.0 111.175 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.701 178.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CZ2' ' HG ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.361 0 CA-C-O 121.568 0.699 . . . . 0.0 111.622 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.723 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 13.9 t70 -78.7 167.89 20.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.445 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -50.58 -40.5 52.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.28 -41.08 18.73 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.394 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.723 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -64.84 -39.63 93.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.625 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.79 -39.19 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -86.56 -49.12 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.828 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.558 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -59.96 -38.97 84.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.715 -175.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.1 -38.49 62.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.444 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -76.27 -44.63 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.31 -46.08 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.056 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -56.38 22.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 0.0 111.115 -179.783 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.8 p -87.05 154.83 20.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.643 0.259 . . . . 0.0 110.726 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.97 -36.15 60.15 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.597 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 34.6 ttpt -61.75 -49.46 76.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -72.13 -32.25 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.674 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HE2' HG11 ' A' ' 89' ' ' VAL . 36.7 t80 -68.32 -46.47 70.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.65 -36.05 77.73 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.548 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.789 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -71.06 -51.34 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.533 -176.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -58.22 -38.3 76.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.692 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.2 mm? -75.6 -35.85 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.728 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 19.0 ttmm -65.92 -35.92 81.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.933 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.46 -28.38 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 111.147 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.7 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.64 6.42 65.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.417 ' HB ' HD12 ' A' ' 51' ' ' LEU . 22.5 t -91.0 -35.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.399 0.618 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 9.2 tp -120.0 151.44 38.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.579 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 23.8 t70 -121.13 -94.99 0.49 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.579 ' HB2' ' O ' ' A' ' 58' ' ' ASP . 11.6 t-20 165.12 -45.73 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.812 0.695 . . . . 0.0 109.311 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -101.68 -49.05 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.796 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.46 87.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.231 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ASP . 47.7 mm -67.97 125.39 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.497 0.665 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 1.6 m -63.58 138.75 58.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.774 -176.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.68 -37.94 93.06 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.6 m -60.27 -51.76 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.085 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ttt -58.75 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.214 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 63' ' ' THR . 10.2 t -67.92 -36.64 80.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.25 97.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.268 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 65' ' ' THR . 73.4 mt -64.69 -38.25 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.699 0.285 . . . . 0.0 110.242 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.26 -52.82 63.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 74' ' ' VAL . 21.3 m-85 -57.93 -43.55 86.37 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.962 0.411 . . . . 0.0 111.199 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.15 -28.17 69.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.056 0.455 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.688 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -84.75 -36.14 21.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -177.086 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.941 ' HB ' ' HG2' ' A' ' 85' ' ' GLU . 34.4 m -66.76 -43.67 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.4 HG22 HG23 ' A' ' 74' ' ' VAL . 9.6 t 178.49 -22.15 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.629 -178.364 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t . . . . . 0 CA--C 1.543 0.689 0 N-CA-C 111.723 0.268 . . . . 0.0 111.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -39.15 -71.51 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.14 -30.86 69.19 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.941 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 15.9 tm-20 -61.24 -59.31 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.631 ' HA ' HG23 ' A' ' 89' ' ' VAL . 30.0 m -63.23 -31.73 72.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.422 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.33 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.512 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 88' ' ' LYS . 55.6 mmtt -72.86 -41.58 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.225 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.851 HG22 HG11 ' A' ' 74' ' ' VAL . 1.3 t -59.67 -58.03 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.401 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.56 -39.32 83.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.094 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.08 60.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.645 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.99 -46.45 74.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.404 0.145 . . . . 0.0 111.382 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 89' ' ' VAL . 58.0 t -61.24 -44.73 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.62 91.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 105' ' ' ILE . 32.0 tt0 -56.76 -54.12 49.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.684 ' HA ' ' HE ' ' A' ' 99' ' ' ARG . 19.7 t70 -64.57 -35.28 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.646 -174.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -74.31 -28.66 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.086 0.47 . . . . 0.0 110.034 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -83.74 -55.02 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.684 ' HE ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.87 -23.6 53.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -171.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.499 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 50.4 mt-30 -80.72 -52.21 7.8 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -101.6 -49.71 3.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.774 ' HG3' ' HD2' ' A' ' 104' ' ' PRO . 3.9 tppp? -92.76 -35.97 13.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -167.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.868 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 8.2 mmpt? 97.09 -70.23 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.544 1.538 . . . . 0.0 112.022 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 5.7 Cg_exo -78.15 122.84 5.88 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.965 1.776 . . . . 0.0 112.201 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.4 pp -62.97 -38.35 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.027 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -38.31 76.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.64 -44.51 93.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.414 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.44 -36.05 71.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.45 -39.73 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.37 -43.11 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.248 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.858 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 85.4 mt -63.24 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -41.14 86.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 33.5 tt0 -63.25 -40.64 98.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 57.8 tptt -50.06 -47.84 53.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.412 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.657 ' HG ' ' CZ2' ' A' ' 19' ' ' TRP . 3.0 mm? -63.21 -39.93 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 0.0 110.341 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 29.3 mtpp -69.27 -15.56 63.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.944 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 85.5 mt -90.02 27.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 177.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.481 ' CZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.337 0 CA-C-O 121.335 0.588 . . . . 0.0 111.699 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 18.0 t70 -85.35 157.7 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.964 -168.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.3 -44.71 65.2 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.844 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -39.43 17.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.479 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 1.9 t70 -50.54 -50.1 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.272 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.8 m -58.28 -32.81 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.671 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -73.95 -38.65 64.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -86.74 -43.16 12.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.44 HH22 ' HE3' ' A' ' 19' ' ' TRP . 43.8 ttp85 -79.2 -46.1 18.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.036 -174.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.654 ' HA ' ' HD2' ' A' ' 31' ' ' PHE . 2.1 t90 -65.67 -31.53 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.56 . . . . 0.0 110.11 -176.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.39 -44.07 72.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.803 175.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.26 70.54 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.229 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.654 ' HD2' ' HA ' ' A' ' 28' ' ' TRP . 39.2 m-85 . . . . . 0 N--CA 1.47 0.552 0 CA-C-O 121.081 0.467 . . . . 0.0 111.391 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.8 mmt . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -129.19 143.79 50.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.46 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.79 94.5 Favored Glycine 0 C--O 1.225 -0.465 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.58 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.32 -51.35 70.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.39 -46.99 77.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.93 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.83 -40.17 95.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.668 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 14.2 t70 -61.23 -29.73 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.61 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -84.79 -48.04 9.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -51.01 -44.88 61.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.093 175.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 10.1 tp -86.13 -34.05 20.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.352 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 27.9 tptt -63.18 -46.36 87.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.727 0.299 . . . . 0.0 110.223 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -70.26 -36.39 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.446 . . . . 0.0 110.567 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.94 43.34 6.4 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.138 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 t -126.55 -4.38 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.418 0.628 . . . . 0.0 110.009 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 59.2 tp -92.37 -37.09 12.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -123.1 -75.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.529 -172.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 56.98 18.28 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 73.45 -46.36 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.747 0.819 . . . . 0.0 111.766 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.51 -28.16 64.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.86 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.39 134.72 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.659 ' O ' HG22 ' A' ' 67' ' ' THR . 76.3 p -98.6 138.94 35.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.882 -172.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.36 -21.35 56.92 Favored Glycine 0 N--CA 1.453 -0.223 0 O-C-N 123.946 0.778 . . . . 0.0 112.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 t -75.04 -40.99 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.724 -0.28 . . . . 0.0 110.793 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 tpt -68.8 -53.13 23.42 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.645 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.62 -37.63 88.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.098 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.09 -45.69 95.56 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.543 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.8 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.28 89.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.7 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 74' ' ' VAL . 82.7 t80 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.749 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.5 m -59.74 -27.27 66.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.305 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.36 -42.13 16.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 ' HB ' ' A' ' 89' ' ' VAL . 27.4 m -65.44 -30.82 51.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 111.753 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.2 p -93.54 -74.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.691 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.907 176.618 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 83' ' ' PHE . 1.2 m . . . . . 0 N--CA 1.448 -0.559 0 CA-C-O 120.462 0.172 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.614 ' H ' HG22 ' A' ' 82' ' ' THR . 33.9 m-85 -54.31 -32.11 55.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.903 0.481 . . . . 0.0 111.742 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.802 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 27.9 t70 -59.28 -29.38 67.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.801 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.726 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 11.1 tm-20 -48.64 -63.67 1.02 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.06 0.544 . . . . 0.0 111.315 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 m -59.33 -41.91 90.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.268 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 84' ' ' ASP . 15.0 pttp -69.71 -35.19 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.363 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' O ' ' HD1' ' A' ' 92' ' ' PHE . 25.4 mttp -69.12 -61.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.753 ' HB ' HG11 ' A' ' 74' ' ' VAL . 12.2 p -62.33 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.587 -171.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 tp -70.13 -35.69 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.704 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -43.53 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.877 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 88' ' ' LYS . 13.5 m-85 -60.16 -46.64 89.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 89' ' ' VAL . 22.5 m -64.24 -44.9 97.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.906 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.06 74.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.225 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 105' ' ' ILE . 41.7 tt0 -63.35 -44.53 94.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.543 -174.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.68 -35.99 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.459 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.0 -46.46 29.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.13 35.33 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.274 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.24 -25.04 65.89 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -172.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.514 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 44.9 mt-30 -79.06 -27.42 43.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 177.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -97.64 -66.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.475 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 27.4 mtpt -101.11 -77.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.211 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 83.4 tttt 169.1 -60.15 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 O-C-N 123.673 0.608 . . . . 0.0 111.652 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 5.3 Cg_exo -79.57 130.78 9.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.517 2.145 . . . . 0.0 113.766 -171.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -73.34 -42.53 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.747 176.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.52 -41.73 97.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.282 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.2 -40.09 92.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.924 0.393 . . . . 0.0 110.794 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 112' ' ' ILE . 7.3 tp10 -67.4 -48.61 66.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.26 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.6 tp -65.85 -37.87 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.88 -45.86 89.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.862 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -59.49 -50.79 72.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.69 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.8 mt -54.49 -49.45 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 110.627 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 m -63.02 -44.43 95.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.546 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.7 -38.79 67.4 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.17 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 53.9 mtpt -56.83 -38.78 73.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.587 0.232 . . . . 0.0 111.171 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 56.0 mt -67.98 -42.16 81.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.61 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.786 0.803 . . . . 0.0 109.81 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 120' ' ' GLU . 29.0 ttpt -73.74 -15.34 61.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.617 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 tp -76.54 26.53 0.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 118' ' ' LYS . 46.5 mt-10 . . . . . 0 C--O 1.234 0.285 0 C-N-CA 123.869 0.868 . . . . 0.0 111.17 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.555 ' HB3' HG22 ' A' ' 24' ' ' VAL . 76.0 m95 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 121.872 0.844 . . . . 0.0 112.234 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.92 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 11.4 t70 -106.38 165.66 11.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.441 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -39.65 -47.8 2.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.269 0.557 . . . . 0.0 111.442 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.39 -40.75 16.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.348 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.92 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 10.8 t70 -64.06 -42.88 96.85 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.727 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 19' ' ' TRP . 97.8 t -59.19 -44.62 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 0.0 110.076 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.17 -31.98 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.838 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG3' ' HD2' ' A' ' 27' ' ' ARG . 19.0 ptpt -68.39 -40.43 81.34 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' HG3' ' A' ' 26' ' ' LYS . 1.2 mpt_? -66.82 -44.94 79.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' HD12 ' A' ' 90' ' ' LEU . 35.7 m0 -58.25 -42.36 86.24 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.521 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.52 -43.84 89.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.775 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.21 -43.59 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.657 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 111.511 178.075 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 52.2 tpp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 121.172 0.51 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -87.26 159.85 18.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.059 -177.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.84 -47.49 78.62 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 114.348 -171.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.4 ttpt -73.13 -35.41 66.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.217 0.509 . . . . 0.0 111.155 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.59 -35.69 75.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.756 0.312 . . . . 0.0 110.665 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -69.9 -36.5 75.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 9.9 t70 -59.77 -28.28 67.26 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.392 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 94.6 mttt -72.22 -46.45 56.03 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -59.89 -36.56 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.221 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 4.1 mm? -79.91 -54.5 5.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.732 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 7.4 tmtt? -71.27 -46.3 61.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.553 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -75.35 -22.03 57.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.948 0.404 . . . . 0.0 111.031 -171.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -75.01 -34.03 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.29 13.13 9.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.555 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.67 -49.99 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.152 0.501 . . . . 0.0 110.104 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.896 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 19.6 tp -82.88 86.6 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.315 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HB3' HG12 ' A' ' 62' ' ' ILE . 16.3 t70 -77.56 -35.35 53.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.848 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.483 ' H ' ' HB ' ' A' ' 62' ' ' ILE . 60.9 t30 69.69 -46.62 0.59 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.989 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.99 -59.96 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.027 0.441 . . . . 0.0 110.238 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.53 -4.16 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.301 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.9 mm -100.99 131.6 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 110.05 15.79 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.821 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.74 -16.18 67.62 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.485 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -71.7 -49.01 43.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.429 ' HG2' ' HB2' ' A' ' 96' ' ' ASP . 14.8 tpt -75.15 -47.83 26.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.238 0.542 . . . . 0.0 110.356 -178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.503 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 75.5 p -70.46 -37.89 74.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.469 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.72 95.39 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.426 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.6 mt -68.22 -39.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.93 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.667 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 67' ' ' THR . 35.3 m-85 -55.84 -44.9 78.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.446 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 m -69.49 -36.32 76.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.802 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -72.39 -30.69 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.324 0.583 . . . . 0.0 110.272 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.127 HG21 ' HB ' ' A' ' 89' ' ' VAL . 31.7 t -71.62 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.074 175.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.6 p -76.36 -77.32 0.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.401 -175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -174.416 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' OE1' ' A' ' 85' ' ' GLU . 3.9 t . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -48.13 -71.59 0.07 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -162.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 16.3 t70 -72.04 -30.43 65.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.004 0.43 . . . . 0.0 110.383 -174.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 74' ' ' VAL . 4.7 mp0 -48.46 -54.61 13.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.298 174.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.8 m -58.69 -39.15 79.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.169 0.509 . . . . 0.0 111.005 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -63.86 -40.77 97.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.677 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 69.0 mttm -60.23 -55.45 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.23 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 1.127 ' HB ' HG21 ' A' ' 74' ' ' VAL . 7.7 p -59.88 -45.57 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.809 -172.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' CZ2' ' A' ' 28' ' ' TRP . 20.8 mt -64.85 -32.44 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.768 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -46.24 54.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.47 -44.06 92.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.621 0.248 . . . . 0.0 111.631 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 89' ' ' VAL . 94.6 t -62.16 -45.45 98.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.37 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.31 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.664 ' HG3' HG21 ' A' ' 105' ' ' ILE . 42.8 tt0 -55.75 -49.0 74.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.895 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB2' ' HG2' ' A' ' 66' ' ' MET . 36.0 t70 -61.44 -51.32 69.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.62 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 97' ' ' ARG . 19.7 ttt180 -58.92 -42.94 90.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.719 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.616 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -62.46 -53.65 51.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 62.9 mtm180 -63.69 -26.47 68.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.193 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.43 -45.24 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 t -74.2 -75.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.827 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 103' ' ' LYS . 40.7 ttmt -101.81 -76.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 63.8 pttt 170.12 -40.27 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.191 0.932 . . . . 0.0 111.828 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.483 ' HD3' ' CG ' ' A' ' 103' ' ' LYS . 1.2 Cg_endo -85.1 128.57 3.69 Favored 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 122.41 2.073 . . . . 0.0 111.842 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.7 pp -68.28 -38.35 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.38 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.93 83.73 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.35 -45.13 76.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.108 0.48 . . . . 0.0 111.111 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -67.36 -43.89 80.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.36 -34.13 77.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.04 0.448 . . . . 0.0 110.331 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLU . 9.4 t70 -60.36 -46.04 91.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.739 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.75 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.1 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 92.6 mt -66.78 -42.68 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.632 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -62.82 -45.72 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ASP . 51.2 mt-10 -61.49 -40.22 93.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.553 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 58.5 tptt -49.37 -53.1 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.366 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 54' ' ' ALA . 62.4 mt -73.35 -32.45 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.62 97.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.234 0.54 . . . . 0.0 110.426 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -82.08 -17.78 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.426 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 12.2 mt -94.29 30.22 2.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.38 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 124.543 1.152 . . . . 0.0 112.384 -173.639 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.688 ' OD1' ' HA ' ' A' ' 120' ' ' GLU . 94.9 m-20 . . . . . 0 N--CA 1.468 0.46 0 CA-C-O 121.092 0.473 . . . . 0.0 111.767 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.556 ' CZ2' ' HA ' ' A' ' 113' ' ' THR . 0.2 OUTLIER -74.28 106.99 6.17 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.761 0.791 . . . . 0.0 110.605 175.63 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.9 t70 -68.88 159.27 32.89 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.569 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -45.0 -51.47 9.85 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.4 0.619 . . . . 0.0 111.276 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.09 -39.67 60.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.701 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.453 ' HB3' ' N ' ' A' ' 20' ' ' ASP . 17.4 t70 -58.0 -39.34 78.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.914 -178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 20' ' ' ASP . 84.5 t -52.83 -45.48 50.38 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-O 121.095 0.474 . . . . 0.0 110.43 176.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -68.24 -41.14 81.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.278 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -58.26 -54.35 48.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.451 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtt85 -65.15 -38.3 90.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.659 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.594 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 4.2 m0 -67.12 -53.82 27.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 0.0 111.021 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -55.83 -43.08 76.66 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.291 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.51 9.41 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 112.211 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.478 ' HB2' ' HB2' ' A' ' 83' ' ' PHE . 53.9 m-85 -57.83 -40.07 79.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.678 -177.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 87.2 m -79.35 -46.53 17.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.926 -0.125 . . . . 0.0 111.302 -178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -56.34 -54.07 49.84 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.873 0.368 . . . . 0.0 111.429 -178.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -83.15 -35.17 25.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.332 -176.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.54 52.15 3.83 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.22 67.71 8.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.355 -0.422 . . . . 0.0 111.513 -170.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.4 -67.18 0.68 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.6 m -107.3 74.85 0.99 Allowed 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 122.459 1.124 . . . . 0.0 109.374 172.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -161.05 93.65 0.98 Allowed 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 113.558 -1.655 . . . . 0.0 107.26 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.8 m 61.66 61.39 1.46 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -166.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -88.44 148.09 24.36 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.104 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.9 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 85.7 mtp -122.02 119.3 31.02 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 79' ' ' LYS . 1.1 m -54.85 154.75 4.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 123.943 0.777 . . . . 0.0 111.269 -177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -51.41 -36.5 38.08 Favored Glycine 0 C--O 1.226 -0.403 0 C-N-CA 121.272 -0.489 . . . . 0.0 112.101 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 31.4 ttpt -59.0 -39.5 82.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.137 0.494 . . . . 0.0 110.821 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -76.61 -36.57 57.4 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.222 -175.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -70.21 -40.21 74.68 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.647 176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -60.66 -29.51 69.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.334 174.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -45.19 60.6 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.304 -0.862 . . . . 0.0 108.792 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -53.77 -35.58 61.47 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.256 -0.883 . . . . 0.0 110.542 174.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.1 mm? -79.67 -49.21 12.45 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 83.8 mttt -70.52 -33.99 71.8 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -77.26 -26.36 52.41 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.532 -0.467 . . . . 0.0 110.324 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -72.29 -30.73 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.836 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.91 4.48 58.83 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.314 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 93' ' ' VAL . 38.9 t -83.51 -50.74 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.296 0.57 . . . . 0.0 109.927 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.844 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 7.3 tt -107.12 92.4 4.06 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 176.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.06 -33.69 50.77 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.667 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.44 ' HB3' ' HE2' ' A' ' 52' ' ' LYS . 8.8 t-20 60.76 28.49 18.23 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 122.28 1.038 . . . . 0.0 109.389 -177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -122.98 -48.36 2.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.299 -174.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.32 -19.55 6.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.5 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.4 tt -64.8 164.92 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.471 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 60.9 p -74.84 152.41 38.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.004 0.431 . . . . 0.0 111.44 -177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.9 -22.84 40.71 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 172.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 27.6 m -61.43 -58.88 6.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.847 -0.676 . . . . 0.0 111.174 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -46.66 73.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.226 -177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 69.3 p -67.07 -51.34 55.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.089 -174.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.02 -47.7 86.5 Favored Glycine 0 C--N 1.33 0.24 0 C-N-CA 121.259 -0.496 . . . . 0.0 112.713 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.69 -30.95 51.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.521 0.201 . . . . 0.0 110.61 -178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HB1' HG23 ' A' ' 89' ' ' VAL . . . -56.62 -57.91 10.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.513 176.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -59.49 -43.92 93.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.019 0.438 . . . . 0.0 110.937 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -59.91 -27.06 66.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.441 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -93.9 -47.69 6.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.627 0.251 . . . . 0.0 111.567 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.791 HG11 ' HB ' ' A' ' 89' ' ' VAL . 34.0 m -67.2 -58.71 5.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -175.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.506 ' N ' HG23 ' A' ' 74' ' ' VAL . 40.5 p -88.95 -54.91 3.91 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 121.74 -0.6 . . . . 0.0 111.056 -175.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.38 -87.64 0.77 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.511 -1.036 . . . . 0.0 110.511 -172.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -69.49 -168.48 0.26 Allowed 'Trans proline' 0 CA--C 1.531 0.372 0 C-N-CA 122.857 2.371 . . . . 0.0 112.134 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -96.37 -12.82 23.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.342 -173.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.492 ' HB3' ' HE2' ' A' ' 79' ' ' LYS . 41.7 mtpt -67.39 -75.25 0.1 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -174.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.9 ' HD3' ' H ' ' A' ' 42' ' ' MET . 27.8 ttpt 179.54 -167.39 0.08 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.861 ' H ' ' HG2' ' A' ' 80' ' ' LYS . . . -149.51 -118.09 0.05 Allowed 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.549 HG22 ' OE2' ' A' ' 85' ' ' GLU . 14.2 t -168.12 -167.3 0.81 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 178.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.505 ' HE1' ' HB3' ' A' ' 28' ' ' TRP . 89.6 t80 -44.1 -61.05 1.61 Allowed 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -170.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.528 ' OD2' ' HE2' ' A' ' 88' ' ' LYS . 16.0 t0 -58.68 -52.65 64.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.869 0.366 . . . . 0.0 111.391 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.549 ' OE2' HG22 ' A' ' 82' ' ' THR . 1.9 mp0 -55.62 -37.5 68.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.989 176.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.5 m -68.06 -42.58 80.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.257 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -71.99 -27.15 62.56 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.519 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.528 ' HE2' ' OD2' ' A' ' 84' ' ' ASP . 68.5 mttm -62.39 -56.37 18.93 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.805 0.336 . . . . 0.0 110.541 175.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.791 ' HB ' HG11 ' A' ' 74' ' ' VAL . 7.1 p -64.54 -41.18 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.351 -174.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.594 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 34.9 mt -60.63 -35.76 76.97 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.911 0.386 . . . . 0.0 110.303 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.94 -44.34 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.843 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -62.2 -45.72 92.11 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.679 0.276 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 HG12 ' A' ' 56' ' ' VAL . 61.1 t -63.97 -44.42 97.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.895 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.2 -42.5 96.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.881 0.372 . . . . 0.0 110.677 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.519 ' HG3' ' HB2' ' A' ' 99' ' ' ARG . 43.6 tt0 -61.77 -36.3 80.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.268 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 100' ' ' GLN . 8.9 t70 -36.89 -64.88 0.32 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.005 0.815 . . . . 0.0 112.513 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.6 mtm180 -95.25 -29.3 14.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.431 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -61.5 -44.4 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.761 0.315 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.899 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -73.63 -25.62 60.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.665 -174.202 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.56 ' HG3' ' O ' ' A' ' 96' ' ' ASP . 78.6 mt-30 -64.84 -47.93 76.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.884 0.373 . . . . 0.0 111.259 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.5 m -97.3 -55.36 2.86 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.721 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 69.7 tttt -90.92 -47.29 7.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.673 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.899 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 54.6 mtpt 105.28 -52.27 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 125.755 1.622 . . . . 0.0 113.774 176.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -61.43 120.82 8.68 Favored 'Trans proline' 0 C--N 1.358 1.072 0 C-N-CA 121.831 1.688 . . . . 0.0 112.596 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -40.08 54.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.197 -178.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.689 HE22 HD23 ' A' ' 109' ' ' LEU . 28.5 tp60 -54.81 -32.52 60.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.327 -177.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -57.93 -48.39 80.05 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.252 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.547 ' O ' HG13 ' A' ' 112' ' ' ILE . 14.9 tp10 -75.5 -31.23 60.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.618 -177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.689 HD23 HE22 ' A' ' 106' ' ' GLN . 22.0 tp -61.31 -48.36 81.73 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 119.956 -0.698 . . . . 0.0 109.833 175.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.25 -39.76 79.99 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.55 ' HB1' ' HE3' ' A' ' 115' ' ' LYS . . . -60.36 -52.08 66.78 Favored 'General case' 0 C--O 1.221 -0.447 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.496 176.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 108' ' ' GLU . 95.0 mt -51.53 -53.11 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.046 177.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.556 ' HA ' ' CZ2' ' A' ' 19' ' ' TRP . 3.7 m -59.65 -42.2 92.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.506 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -68.93 -40.83 78.8 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.261 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HE3' ' HB1' ' A' ' 111' ' ' ALA . 87.7 mttt -61.27 -57.52 12.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.877 178.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.596 ' HA ' ' HB3' ' A' ' 119' ' ' LEU . 95.1 mt -66.72 -16.26 64.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.039 -175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.73 -37.84 83.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.966 0.412 . . . . 0.0 110.587 177.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -103.65 -17.21 15.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.393 177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.596 ' HB3' ' HA ' ' A' ' 116' ' ' LEU . 15.5 tp -85.08 17.39 2.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 -175.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.688 ' HA ' ' OD1' ' A' ' 18' ' ' ASN . 40.2 mt-10 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.417 178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.441 ' CG ' HD23 ' A' ' 119' ' ' LEU . 44.1 m-80 . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 120.952 0.406 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.468 ' CD2' HG22 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -55.54 149.16 14.19 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.231 174.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' VAL . 12.7 t70 -79.9 151.65 30.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.1 -178.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.664 ' HB2' ' HB2' ' A' ' 117' ' ' ALA . 26.4 t70 -45.48 -52.86 9.67 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.616 0.572 . . . . 0.0 111.846 179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.2 80.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.469 -175.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -63.12 -39.37 94.5 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.06 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 20' ' ' ASP . 82.7 t -51.34 -55.55 7.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 -179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -64.03 -40.79 97.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.374 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -68.35 -41.03 81.32 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.444 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -53.4 -46.64 69.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.607 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -62.81 -46.59 87.24 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.521 177.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.25 -44.28 88.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.202 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.88 -49.84 75.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.864 -178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -65.68 -29.26 69.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.873 0.368 . . . . 0.0 111.038 -178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.2 m -77.9 -41.37 36.82 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.153 0.502 . . . . 0.0 111.071 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -76.51 -44.15 36.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.427 -175.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' HB3' ' H ' ' A' ' 35' ' ' GLY . 89.0 m-85 -89.36 -152.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.534 -174.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 34' ' ' PHE . . . -113.0 82.49 0.31 Allowed Glycine 0 N--CA 1.441 -0.988 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HB1' ' HB3' ' A' ' 39' ' ' ALA . . . -74.5 70.11 1.74 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.322 0.582 . . . . 0.0 110.664 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.49 -37.39 74.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.284 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.5 m -73.8 -23.85 59.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.254 0.549 . . . . 0.0 110.08 179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.646 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . . . -85.45 42.45 0.95 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.696 0.76 . . . . 0.0 110.141 175.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.475 HG23 ' HG2' ' A' ' 41' ' ' GLU . 11.2 t -77.36 -26.78 52.29 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.798 -1.092 . . . . 0.0 109.615 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HG2' HG23 ' A' ' 40' ' ' THR . 11.9 pt-20 -172.01 148.45 2.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 114.92 -1.036 . . . . 0.0 108.272 176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 47' ' ' PHE . 13.5 tpt -104.77 136.86 43.48 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.341 -177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 p -70.2 123.49 21.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.607 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.86 -57.3 18.67 Favored Glycine 0 C--O 1.224 -0.516 0 CA-C-N 115.763 -0.653 . . . . 0.0 113.592 -174.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.0 tmmm? -61.54 -39.77 92.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.053 0.454 . . . . 0.0 111.062 -172.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -68.33 -33.59 74.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.02 0.438 . . . . 0.0 110.112 178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.686 ' HE2' HG11 ' A' ' 89' ' ' VAL . 14.7 t80 -71.91 -36.49 69.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.887 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -55.54 -41.27 72.98 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.171 0.51 . . . . 0.0 110.548 173.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -75.78 -45.41 36.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.619 -177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 32.4 t-105 -55.18 -38.76 68.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.378 175.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.963 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 2.5 mm? -75.72 -36.16 60.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.919 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -72.41 -42.23 65.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.041 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -65.55 -45.37 83.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.778 -178.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.05 -29.12 67.06 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.721 175.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.93 17.5 35.0 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.91 -0.586 . . . . 0.0 112.356 176.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 20.9 t -94.48 -36.3 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.035 0.445 . . . . 0.0 110.441 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.963 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 21.3 tp -86.65 97.1 10.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.173 0.511 . . . . 0.0 109.872 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -78.74 -56.06 4.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.031 -178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 62' ' ' ILE . 3.8 m-20 64.57 9.11 4.84 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 113.218 0.822 . . . . 0.0 113.218 176.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -103.45 -49.11 3.79 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.914 -0.772 . . . . 0.0 108.914 174.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -93.46 -11.52 31.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.623 172.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 59' ' ' ASN . 66.2 mt -103.91 120.98 54.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.011 -0.995 . . . . 0.0 109.265 177.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.507 ' O ' HG22 ' A' ' 67' ' ' THR . 12.5 p -115.67 -178.98 3.52 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -176.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -51.35 -29.73 23.73 Favored Glycine 0 C--N 1.332 0.351 0 CA-C-N 114.862 -1.063 . . . . 0.0 114.227 -175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -70.78 -34.05 71.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 117.546 0.673 . . . . 0.0 111.456 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -75.23 -57.28 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.152 0.501 . . . . 0.0 109.982 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 63' ' ' THR . 0.6 OUTLIER -63.34 -37.4 87.11 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.327 -0.852 . . . . 0.0 111.437 -177.862 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.36 -46.74 89.75 Favored Glycine 0 N--CA 1.454 -0.162 0 C-N-CA 121.264 -0.493 . . . . 0.0 112.836 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.49 -44.09 98.96 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-O 120.736 0.303 . . . . 0.0 110.495 178.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.14 -50.59 72.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.328 177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' HA ' HG22 ' A' ' 74' ' ' VAL . 75.9 t80 -58.99 -43.72 91.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.034 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 26.3 m -59.3 -30.85 68.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.447 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -83.21 -39.35 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.685 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.664 HG11 HG22 ' A' ' 89' ' ' VAL . 13.5 m -73.26 -24.7 20.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.634 HG23 HG23 ' A' ' 74' ' ' VAL . 25.5 p -130.02 -86.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' A' ' 77' ' ' PRO . . . 103.79 -100.94 1.94 Allowed Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -174.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 76' ' ' GLY . 5.3 Cg_exo -80.83 -176.53 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 123.063 2.508 . . . . 0.0 111.894 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -21.57 64.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.849 0.357 . . . . 0.0 110.247 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -56.65 -36.86 70.01 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.866 173.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB3' ' OE1' ' A' ' 85' ' ' GLU . 61.6 mtpt 56.97 -152.11 0.4 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.581 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.064 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -117.45 -94.91 0.49 Allowed 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 119.671 -0.812 . . . . 0.0 112.079 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 8.9 t 163.99 -139.7 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 -173.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -57.36 -34.72 69.11 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.053 0.388 . . . . 0.0 110.553 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.534 ' H ' HG23 ' A' ' 82' ' ' THR . 15.0 t70 -54.57 -49.81 69.46 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.949 175.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.064 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 41.3 tt0 -44.5 -53.71 6.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.937 -1.029 . . . . 0.0 111.051 176.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.9 m -61.15 -52.22 65.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.848 -0.615 . . . . 0.0 112.003 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -29.52 68.47 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.61 0.243 . . . . 0.0 111.137 -176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.554 ' CB ' HG12 ' A' ' 74' ' ' VAL . 29.6 mmtp -65.14 -46.33 81.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.669 177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.686 HG11 ' HE2' ' A' ' 47' ' ' PHE . 29.7 t -57.95 -50.69 77.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.779 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.7 mt -57.96 -36.45 72.6 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' GLU . . . -69.74 -40.16 76.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.301 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -75.15 -40.6 59.5 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 -176.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 89' ' ' VAL . 21.2 m -64.4 -44.64 97.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.911 0.386 . . . . 0.0 110.724 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.59 92.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.694 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.82 ' HG2' HG21 ' A' ' 105' ' ' ILE . 1.1 tm-20 -49.67 -61.07 2.33 Favored 'General case' 0 N--CA 1.464 0.244 0 O-C-N 123.713 0.633 . . . . 0.0 110.416 176.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -57.97 -41.4 82.84 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.685 -177.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.802 ' CZ ' ' HA ' ' A' ' 97' ' ' ARG . 0.0 OUTLIER -66.27 -50.37 63.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.796 -175.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.709 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -69.8 -35.44 74.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.889 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.509 ' HB2' ' O ' ' A' ' 95' ' ' GLU . 35.2 ttp180 -60.0 -38.77 83.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.997 -178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.548 ' NE2' HH22 ' A' ' 97' ' ' ARG . 49.4 mt-30 -86.5 -20.65 27.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.019 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 t -80.94 -76.19 0.25 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.431 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 103' ' ' LYS . 1.0 OUTLIER -100.99 -76.03 0.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.742 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 104' ' ' PRO . 20.5 mtpt 173.04 -54.18 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.291 0 C-N-CA 125.079 1.351 . . . . 0.0 109.204 178.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 103' ' ' LYS . 55.7 Cg_endo -72.17 133.37 21.11 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.054 1.836 . . . . 0.0 112.309 176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.82 HG21 ' HG2' ' A' ' 95' ' ' GLU . 19.4 pt -75.15 -38.3 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -177.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -52.12 -27.93 15.96 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -59.46 -56.12 26.05 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.744 176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.709 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 7.3 tp10 -66.42 -32.08 73.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.445 -177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -54.13 -51.1 65.32 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.675 ' HA ' ' OG1' ' A' ' 113' ' ' THR . 28.7 t70 -69.04 -26.81 65.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.144 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.56 -44.46 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.038 0.447 . . . . 0.0 110.103 174.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 94.0 mt -64.81 -49.95 77.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.51 176.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.675 ' OG1' ' HA ' ' A' ' 110' ' ' ASP . 22.3 p -58.89 -42.36 89.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.671 -176.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 118' ' ' LYS . 26.9 tt0 -65.18 -45.34 85.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.609 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.649 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 31.4 ttpt -58.61 -46.9 86.03 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.537 -174.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.439 HD13 ' CD1' ' A' ' 19' ' ' TRP . 25.7 mt -59.04 -50.21 74.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.016 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.664 ' HB2' ' HB2' ' A' ' 21' ' ' ASP . . . -57.35 -38.63 74.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.533 -176.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' HG2' ' O ' ' A' ' 114' ' ' GLU . 22.4 ptmt -90.29 -12.68 37.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.633 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.649 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 14.2 tp -76.17 18.89 0.26 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 -170.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 N--CA 1.466 0.337 0 CA-C-O 120.986 0.422 . . . . 0.0 110.369 -174.744 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.524 ' OD1' ' HA ' ' A' ' 120' ' ' GLU . 8.2 t30 . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.961 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -60.69 127.81 33.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.588 0.708 . . . . 0.0 110.719 175.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.644 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 27.2 t70 -96.57 166.24 11.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.115 -173.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -35.17 -61.9 0.41 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.2 1.0 . . . . 0.0 112.664 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.92 -40.58 63.02 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.871 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.644 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 34.5 t70 -55.92 -39.22 71.32 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.784 -178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 20' ' ' ASP . 94.0 t -57.04 -59.51 3.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.36 178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -68.92 -22.3 64.16 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.399 -173.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 10.3 mtpm? -54.07 -44.65 71.3 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 111.055 175.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.6 mtt85 -72.51 -41.65 65.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.641 ' HZ2' HD12 ' A' ' 90' ' ' LEU . 2.2 m95 -59.15 -40.41 85.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.547 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.28 -44.82 90.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 178.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 37' ' ' ALA . . . -57.69 -50.88 71.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.848 0.356 . . . . 0.0 111.36 179.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.897 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 21.4 m-85 -67.72 -14.66 63.13 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.1 m -96.59 -51.91 4.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.029 -0.419 . . . . 0.0 111.007 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.4 tttp -65.26 -53.25 47.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.956 -176.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -89.02 -33.99 16.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.339 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 111.36 -28.44 9.64 Favored Glycine 0 N--CA 1.447 -0.633 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -170.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.897 ' HA ' ' HD1' ' A' ' 31' ' ' PHE . . . 172.67 129.82 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.548 -1.326 . . . . 0.0 107.673 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' ' 30' ' ' ALA . . . -52.17 -58.1 7.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 123.38 0.425 . . . . 0.0 111.563 -175.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -159.19 21.15 0.19 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.55 0.69 . . . . 0.0 110.001 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.48 103.79 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.816 -172.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -96.64 -1.11 47.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.594 0.712 . . . . 0.0 109.493 172.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -100.08 96.0 7.22 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.276 -0.874 . . . . 0.0 110.024 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 86.8 mtp -120.04 97.01 5.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 p -73.49 124.17 25.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.224 0.535 . . . . 0.0 111.307 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.548 ' HA3' ' O ' ' A' ' 78' ' ' LYS . . . -70.85 -23.43 77.95 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.858 -175.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -68.87 -38.26 79.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.104 0.478 . . . . 0.0 109.9 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 -68.76 -38.53 80.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 177.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.573 ' CE1' HG23 ' A' ' 86' ' ' THR . 72.1 t80 -65.42 -41.12 93.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.249 177.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.79 -37.79 77.12 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.278 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -74.91 -45.52 42.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.854 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.42 ' HD1' HD22 ' A' ' 51' ' ' LEU . 72.3 t-105 -51.93 -32.3 32.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.282 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 3.9 mm? -92.57 -36.26 13.12 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.893 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 60.1 tttm -73.12 -44.66 59.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.718 0.294 . . . . 0.0 111.225 -177.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.89 -33.41 75.64 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.389 178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.59 -29.81 68.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.075 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.31 -2.74 59.47 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.393 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.2 t -76.91 -44.59 32.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.383 0.611 . . . . 0.0 109.447 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.723 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 0.5 OUTLIER -107.81 83.41 1.79 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.877 174.073 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.873 ' HB3' HG12 ' A' ' 62' ' ' ILE . 11.4 t70 -54.58 -40.7 69.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.828 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 64.0 t30 70.55 -6.28 1.24 Allowed 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.78 -0.645 . . . . 0.0 112.039 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -110.68 -54.52 2.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.19 0.519 . . . . 0.0 110.13 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.15 19.69 20.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.446 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.873 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.5 mm -89.8 127.82 42.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.444 0.64 . . . . 0.0 110.345 177.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.437 ' HB ' ' SD ' ' A' ' 66' ' ' MET . 3.1 m -61.28 144.51 53.74 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.464 -1.243 . . . . 0.0 111.649 -177.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.12 -25.21 61.86 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.658 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.4 m -55.9 -40.72 73.44 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.206 0.527 . . . . 0.0 110.71 176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.437 ' SD ' ' HB ' ' A' ' 63' ' ' THR . 1.9 mpt? -85.35 -59.2 2.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.025 -178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 t -66.74 -44.38 81.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.593 -173.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.72 -50.02 64.53 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.41 -176.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.3 mt -68.03 -40.29 82.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.595 0.197 . . . . 0.0 110.649 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.76 -56.5 19.79 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.977 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.589 ' HA ' HG22 ' A' ' 74' ' ' VAL . 44.4 m-85 -61.55 -44.03 97.78 Favored 'General case' 0 C--O 1.216 -0.68 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.26 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.6 m -57.35 -27.81 62.59 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.127 -0.358 . . . . 0.0 111.817 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -83.35 -29.29 28.36 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.589 HG22 ' HA ' ' A' ' 71' ' ' PHE . 33.7 m -99.95 -39.83 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -175.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 t 174.24 110.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.146 0.978 . . . . 0.0 108.943 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -45.0 -61.5 3.43 Favored Glycine 0 C--N 1.333 0.414 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.994 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -72.33 135.5 24.73 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.475 2.116 . . . . 0.0 111.748 173.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.548 ' O ' ' HA3' ' A' ' 44' ' ' GLY . 91.7 mttt -71.09 -11.04 60.73 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.702 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -35.06 -68.57 0.12 Allowed 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 -177.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -174.92 158.17 2.5 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' O ' ' HB ' ' A' ' 82' ' ' THR . . . -146.34 -92.74 0.09 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.277 0.361 . . . . 0.0 111.396 174.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.575 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 11.4 t 172.32 -175.85 0.05 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 -174.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 69.2 t80 -62.95 -32.9 74.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.793 -0.185 . . . . 0.0 111.225 -179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -53.4 -44.06 68.4 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.449 0.642 . . . . 0.0 109.69 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.671 ' O ' HG23 ' A' ' 89' ' ' VAL . 0.2 OUTLIER -59.14 -61.14 2.86 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.005 171.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.573 HG23 ' CE1' ' A' ' 47' ' ' PHE . 30.2 m -50.13 -48.72 53.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.744 -174.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 83' ' ' PHE . 13.9 ptmm? -64.59 -36.44 84.25 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.831 -0.168 . . . . 0.0 110.706 -178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.557 ' HB2' HG12 ' A' ' 74' ' ' VAL . 57.9 mtmt -74.25 -41.99 60.41 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 121.093 -0.243 . . . . 0.0 111.258 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 85' ' ' GLU . 31.0 t -58.76 -55.23 24.43 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.732 0.301 . . . . 0.0 110.565 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HZ2' ' A' ' 28' ' ' TRP . 36.4 mt -60.22 -44.95 94.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.355 -177.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.43 -35.44 77.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.7 -178.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -70.74 -51.72 25.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.637 0.256 . . . . 0.0 111.022 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.62 -45.67 96.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.756 -177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.54 -40.15 95.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.798 177.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.641 ' HA ' HG13 ' A' ' 105' ' ' ILE . 36.8 tt0 -59.13 -68.43 0.27 Allowed 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.586 -177.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 99' ' ' ARG . 2.2 t70 -64.91 -33.05 75.11 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 123.1 0.25 . . . . 0.0 111.433 -170.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.4 ttt85 -56.35 -50.74 70.65 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.991 0.424 . . . . 0.0 110.472 177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.643 ' HB2' ' HB2' ' A' ' 108' ' ' GLU . . . -74.62 -43.62 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.382 177.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.652 ' HB3' ' HA ' ' A' ' 96' ' ' ASP . 59.8 ttt180 -45.46 -49.46 13.44 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 123.99 0.916 . . . . 0.0 112.273 -177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -73.89 -40.55 63.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.864 0.364 . . . . 0.0 111.494 -177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.8 m -93.49 -60.08 1.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.578 ' C ' ' HD2' ' A' ' 104' ' ' PRO . 91.8 mttt -96.69 -41.41 8.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.94 -170.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 102' ' ' LYS . 51.2 mtpt 103.07 -64.31 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.962 0 C-N-CA 125.993 1.717 . . . . 0.0 112.017 -173.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.578 ' HD2' ' C ' ' A' ' 102' ' ' LYS . 37.8 Cg_endo -66.72 108.16 1.4 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.673 1.582 . . . . 0.0 113.195 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.641 HG13 ' HA ' ' A' ' 95' ' ' GLU . 0.0 OUTLIER -67.59 -40.52 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.694 178.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.9 tp60 -56.91 -39.51 74.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.176 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.17 -40.04 90.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.71 0.29 . . . . 0.0 110.834 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.643 ' HB2' ' HB2' ' A' ' 98' ' ' ALA . 10.6 tp10 -63.98 -44.56 92.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.196 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.1 tp -62.8 -41.67 99.38 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -61.42 -40.48 94.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.047 178.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.49 -45.28 94.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.76 175.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 108' ' ' GLU . 94.1 mt -59.12 -49.4 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 176.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.9 m -57.22 -48.57 78.49 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.558 -176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.57 -38.93 74.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.678 0.275 . . . . 0.0 111.0 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.527 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 0.3 OUTLIER -59.7 -42.17 92.4 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.961 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 46.0 mt -59.81 -38.41 81.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.173 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.97 84.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.453 0.644 . . . . 0.0 110.379 176.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -80.36 -16.9 53.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.925 178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 99.4 mt -98.99 16.19 23.34 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 121.116 -0.234 . . . . 0.0 110.992 -179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.524 ' HA ' ' OD1' ' A' ' 18' ' ' ASN . 9.6 pt-20 . . . . . 0 N--CA 1.47 0.534 0 O-C-N 124.332 1.02 . . . . 0.0 112.671 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 N--CA 1.446 -0.653 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.495 ' CG ' HG22 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -52.55 144.96 12.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.915 -178.161 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 1.6 m-20 -60.35 148.19 37.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.812 176.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -49.6 -47.1 49.76 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.744 0.783 . . . . 0.0 110.811 178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.46 -39.4 58.77 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.5 -1.227 . . . . 0.0 111.176 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.475 ' CB ' ' HB2' ' A' ' 20' ' ' ASP . 30.9 t70 -60.13 -39.85 87.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.72 -175.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 20' ' ' ASP . 34.3 t -47.8 -59.79 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 O-C-N 123.489 0.493 . . . . 0.0 110.836 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 43.8 tptt -66.36 -44.71 82.44 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.675 -177.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 26' ' ' LYS . 6.3 ttpm? -54.39 -42.99 71.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.187 0.518 . . . . 0.0 110.985 -178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.467 ' NH2' ' HB3' ' A' ' 19' ' ' TRP . 3.1 ttp180 -79.63 -47.33 15.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.593 -177.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -59.79 -45.58 91.85 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.237 0.542 . . . . 0.0 111.032 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HB2' ' HE3' ' A' ' 25' ' ' LYS . 38.8 t70 -64.73 -43.75 92.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.668 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.37 -44.09 71.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.173 177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.646 ' HD1' ' HA ' ' A' ' 36' ' ' ALA . 18.3 m-85 -57.24 -36.32 70.8 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.78 0.324 . . . . 0.0 111.552 178.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 13.9 m -86.53 -41.33 14.43 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.858 -173.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -85.19 -60.96 1.88 Allowed 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -176.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -84.84 -36.57 21.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.161 0.505 . . . . 0.0 110.465 -174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 132.09 -35.71 2.32 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.646 ' HA ' ' HD1' ' A' ' 31' ' ' PHE . . . 179.39 153.74 0.45 Allowed 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.42 -38.01 20.74 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.5 p -139.55 -88.32 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.83 -1.077 . . . . 0.0 108.721 170.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . . . 40.52 50.11 2.77 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 169.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -64.99 -59.91 3.63 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -145.24 147.36 32.32 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 23.1 ttt -144.69 141.55 29.4 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.0 p -99.19 160.56 14.18 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.855 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.34 -50.83 61.65 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.863 -0.608 . . . . 0.0 113.054 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.0 mtmm -54.58 -33.98 61.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.977 0.388 . . . . 0.0 112.022 -176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -73.98 -29.02 61.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.633 0.254 . . . . 0.0 111.083 -179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' HE2' HG11 ' A' ' 89' ' ' VAL . 16.8 t80 -87.71 -39.58 14.84 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.229 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -23.48 65.87 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-O 121.284 0.564 . . . . 0.0 109.698 173.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -68.29 -50.04 56.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.515 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.8 t-105 -61.84 -38.59 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.38 174.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.655 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.4 mm? -70.45 -42.14 71.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.562 -177.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 12.3 tmtt? -73.75 -51.82 15.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.469 -177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -73.7 -22.23 59.98 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.039 -0.264 . . . . 0.0 111.459 -169.256 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.87 -29.28 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.955 0.407 . . . . 0.0 110.291 173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.46 19.33 18.61 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.613 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.3 t -93.8 -46.11 13.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.824 0.345 . . . . 0.0 110.748 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.655 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 4.9 tp -93.02 28.96 1.96 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.339 0.59 . . . . 0.0 110.446 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.16 69.87 0.15 Allowed 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.676 0.75 . . . . 0.0 109.485 178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.627 ' OD1' ' HG2' ' A' ' 60' ' ' LYS . 29.0 t-20 -103.23 -69.02 0.81 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.452 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.627 ' HG2' ' OD1' ' A' ' 59' ' ' ASN . 59.8 pttt 177.54 -48.73 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.518 0.675 . . . . 0.0 109.822 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.88 -15.74 57.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.107 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 51.2 mm -56.16 113.45 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.678 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.4 p -80.22 -178.58 6.65 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.242 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.17 -9.51 21.99 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.18 -1.168 . . . . 0.0 110.18 170.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.2 m -81.25 -59.9 2.47 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.912 -0.644 . . . . 0.0 110.572 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -60.53 -45.87 92.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.613 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 75.6 p -64.37 -38.26 90.4 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.834 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.01 -43.2 99.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.172 -0.537 . . . . 0.0 111.997 177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.5 mt -63.14 -47.69 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -55.87 -48.61 75.26 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.473 177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -56.5 -43.8 80.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.171 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 17.5 m -67.27 -32.32 73.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.462 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -73.21 -25.7 60.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.121 0.486 . . . . 0.0 110.751 177.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.094 HG13 ' HB3' ' A' ' 85' ' ' GLU . 73.0 t -89.78 -63.8 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.503 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.642 HG23 HG12 ' A' ' 74' ' ' VAL . 21.4 p -111.73 29.24 8.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.119 0.485 . . . . 0.0 111.689 -174.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.59 -58.81 5.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.462 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -81.56 168.02 16.56 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.328 2.019 . . . . 0.0 113.401 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.562 ' O ' ' HG2' ' A' ' 80' ' ' LYS . 17.6 ptpt -63.93 -11.15 25.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.685 177.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -47.86 -34.35 8.72 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.417 0.687 . . . . 0.0 111.793 176.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 78' ' ' LYS . 10.3 mmmm 77.44 173.45 0.2 Allowed 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.566 0.746 . . . . 0.0 111.316 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.434 ' HB2' ' CG2' ' A' ' 75' ' ' THR . . . -90.49 81.2 5.97 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.435 0.636 . . . . 0.0 110.66 -173.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 43.9 p -100.39 -157.11 0.59 Allowed 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.278 176.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.522 ' HB2' ' HB3' ' A' ' 31' ' ' PHE . 19.2 p90 -58.01 -46.25 85.58 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -171.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -64.95 -37.46 87.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.537 0.684 . . . . 0.0 110.184 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.094 ' HB3' HG13 ' A' ' 74' ' ' VAL . 6.5 mp0 -66.51 -47.04 74.24 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.485 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.2 m -58.63 -41.37 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.19 0.519 . . . . 0.0 110.476 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -59.6 -43.32 93.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.408 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -64.22 -44.39 92.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.803 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.853 HG22 HG21 ' A' ' 74' ' ' VAL . 20.1 t -58.58 -57.8 9.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.907 -177.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -57.06 -34.57 68.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.218 -178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.44 -50.94 22.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.411 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -72.11 -38.66 69.26 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.01 -44.47 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 120.88 0.371 . . . . 0.0 110.17 177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.527 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.724 ' HA ' HG22 ' A' ' 105' ' ' ILE . 1.3 tm-20 -49.92 -45.8 51.37 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.377 0.671 . . . . 0.0 111.677 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -50.31 -56.76 9.89 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.087 0.47 . . . . 0.0 110.582 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 97' ' ' ARG . 17.2 ttt180 -70.16 -46.68 64.19 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.248 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -59.38 -45.57 91.08 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -172.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HB2' ' OE2' ' A' ' 95' ' ' GLU . 18.8 ttm180 -60.77 -36.09 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.027 0.441 . . . . 0.0 111.019 -176.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -91.43 -10.45 40.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.67 -174.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.5 m -100.45 -65.03 0.99 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.217 0.532 . . . . 0.0 110.56 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 28.3 mmtp -101.7 -76.74 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.492 0.663 . . . . 0.0 109.284 177.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.829 ' HB3' ' HD3' ' A' ' 104' ' ' PRO . 88.3 tttt 163.16 -54.89 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 113.751 -1.568 . . . . 0.0 108.703 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.829 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 3.9 Cg_exo -78.37 150.66 25.55 Favored 'Trans proline' 0 C--N 1.359 1.089 0 C-N-CA 122.547 2.165 . . . . 0.0 111.6 174.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.724 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.7 pp -76.53 -38.03 30.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.578 -176.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.405 ' N ' HD12 ' A' ' 105' ' ' ILE . 0.0 OUTLIER -52.56 -41.07 63.24 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.466 -175.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.45 -57.22 7.39 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.161 0.505 . . . . 0.0 111.605 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.517 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 37.3 mm-40 -77.5 -31.35 53.48 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.292 -175.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 32.8 tp -65.25 -40.82 94.49 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.73 -39.8 95.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.618 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.25 93.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.67 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 108' ' ' GLU . 97.8 mt -58.78 -49.5 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.294 0.568 . . . . 0.0 110.762 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 18.9 m -59.32 -46.63 88.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.82 -178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -67.02 -40.83 87.33 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.73 -0.213 . . . . 0.0 111.118 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.9 tptm -58.93 -39.15 80.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.598 -174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 98.3 mt -71.84 -36.95 70.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.013 0.435 . . . . 0.0 110.848 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.18 87.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.502 0.668 . . . . 0.0 109.652 174.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' A' ' 118' ' ' LYS . 8.0 tppt? -67.41 -19.07 65.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.973 177.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 25.7 tp -80.57 19.27 0.82 Allowed 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.55 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 CA--C 1.52 -0.198 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.413 -174.078 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 . . . . . 0 CA--C 1.516 -0.352 0 CA-C-O 120.768 0.318 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . 0.1 OUTLIER -67.07 106.76 2.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.405 0.622 . . . . 0.0 110.449 171.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.451 ' O ' HG12 ' A' ' 24' ' ' VAL . 64.3 m-20 -79.01 172.95 13.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.414 -173.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -48.66 -60.32 2.81 Favored 'General case' 0 N--CA 1.474 0.75 0 O-C-N 123.755 0.66 . . . . 0.0 112.073 -176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.07 32.2 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.228 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 27' ' ' ARG . 38.1 t70 -56.06 -45.02 79.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.295 -175.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 ' HB ' ' HB2' ' A' ' 19' ' ' TRP . 8.4 p -62.02 -46.19 97.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 120.636 0.255 . . . . 0.0 111.373 -177.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -65.82 -40.11 91.5 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.5 tttt -67.94 -42.48 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.938 -176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.2 mtt180 -68.63 -40.36 80.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.535 0.207 . . . . 0.0 111.137 179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -66.39 -40.78 89.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.327 0.584 . . . . 0.0 109.793 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.43 -41.76 93.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.373 175.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 27' ' ' ARG . . . -45.41 -40.95 8.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.323 -0.853 . . . . 0.0 112.534 178.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -52.98 -33.71 52.58 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.849 0.357 . . . . 0.0 111.406 178.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -87.12 -41.37 13.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.016 0.436 . . . . 0.0 110.962 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 61.0 mmtt -78.88 -62.75 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -86.76 -37.37 17.93 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.947 -172.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.35 -11.86 56.91 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.23 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.73 68.39 0.7 Allowed 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 121.42 0.629 . . . . 0.0 111.148 177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.69 -7.63 57.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.763 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -92.4 -20.96 20.51 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.981 178.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.89 77.95 1.48 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.01 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.1 m -93.8 -22.05 18.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.501 -176.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.581 ' HA ' ' HD2' ' A' ' 80' ' ' LYS . 29.5 tt0 -108.29 109.73 21.14 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.605 -0.438 . . . . 0.0 111.194 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 55.0 tpp -104.28 124.56 49.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 56.6 p -101.61 143.54 31.45 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.723 -177.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.5 -29.76 61.15 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 121.261 -0.495 . . . . 0.0 112.554 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.3 ttpp -61.4 -58.14 9.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.151 0.501 . . . . 0.0 110.763 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -66.07 -36.84 84.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.832 -177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' HE2' HG11 ' A' ' 89' ' ' VAL . 11.6 t80 -69.45 -41.09 76.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.728 -177.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -58.02 -39.87 79.44 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.206 0.527 . . . . 0.0 110.986 177.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 mttm -78.05 -42.38 32.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.053 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.456 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 53.2 t-105 -51.86 -38.56 56.47 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 171.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.556 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 3.5 mm? -75.46 -37.53 60.22 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.621 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -56.14 -56.42 21.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.179 175.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -23.64 61.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.767 -175.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.77 -35.21 76.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.844 0.354 . . . . 0.0 110.373 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 99.1 0.68 57.16 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.113 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.7 t -82.4 -24.6 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.229 0.537 . . . . 0.0 110.274 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.879 ' HG ' ' H ' ' A' ' 58' ' ' ASP . 15.7 tp -79.38 -165.93 0.87 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.049 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.879 ' H ' ' HG ' ' A' ' 57' ' ' LEU . 24.7 t70 -63.66 82.15 0.03 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-O 122.276 1.036 . . . . 0.0 111.51 -174.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.428 ' OD1' ' HG3' ' A' ' 60' ' ' LYS . 25.3 t-20 -70.41 -43.24 70.42 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.284 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.428 ' HG3' ' OD1' ' A' ' 59' ' ' ASN . 65.3 mttp -134.47 -78.71 0.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -177.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -133.23 69.55 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.031 0.443 . . . . 0.0 110.731 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.505 HD11 HH11 ' A' ' 97' ' ' ARG . 9.1 mt -91.6 128.18 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-O 121.21 0.529 . . . . 0.0 110.026 176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 67' ' ' THR . 0.7 OUTLIER -57.92 110.75 0.98 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 -170.367 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' HA2' ' OG1' ' A' ' 67' ' ' THR . . . -63.46 -30.7 78.38 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.696 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 t -62.46 -36.44 82.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.933 0.397 . . . . 0.0 110.798 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.429 ' HB3' ' OD2' ' A' ' 96' ' ' ASP . 67.5 mtt -84.39 -45.6 12.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 63' ' ' THR . 65.7 p -60.29 -36.29 77.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.562 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.97 -39.42 78.9 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.315 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 73.0 mt -60.06 -51.68 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 176.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' HG12 ' A' ' 74' ' ' VAL . . . -55.77 -42.54 75.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.242 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -58.6 -43.25 89.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.78 177.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.7 m -68.07 -27.98 66.97 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.913 179.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 73.7 mmtt -74.8 -42.03 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.228 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.799 HG23 ' HA ' ' A' ' 85' ' ' GLU . 2.5 p -70.11 -57.94 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.853 177.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.697 HG22 HG22 ' A' ' 74' ' ' VAL . 10.9 t 177.02 115.55 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.47 0 CA-C-O 121.35 0.595 . . . . 0.0 111.304 -177.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -53.09 -57.78 13.8 Favored Glycine 0 CA--C 1.523 0.576 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.998 168.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.88 117.89 4.7 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.366 2.044 . . . . 0.0 111.589 171.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -77.26 -13.6 59.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.658 -171.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -61.45 -61.67 2.37 Favored 'General case' 0 C--N 1.33 -0.245 0 O-C-N 122.96 0.162 . . . . 0.0 111.06 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.581 ' HD2' ' HA ' ' A' ' 41' ' ' GLU . 5.4 ttpm? -162.7 148.42 12.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 178.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.64 ' HB2' ' HB ' ' A' ' 75' ' ' THR . . . -108.45 -84.75 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.132 176.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 84' ' ' ASP . 11.1 t 177.95 -164.6 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 -176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -65.0 -32.56 74.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.955 0.407 . . . . 0.0 110.801 179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 82' ' ' THR . 14.4 m-20 -61.31 -28.13 68.98 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.956 178.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.799 ' HA ' HG23 ' A' ' 74' ' ' VAL . 6.9 tm-20 -41.75 -72.84 0.05 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.587 0.755 . . . . 0.0 112.026 -175.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.1 m -59.92 -38.52 82.58 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.364 0.602 . . . . 0.0 111.17 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.3 tttt -59.41 -46.91 87.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.375 179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.601 ' HE3' ' HB3' ' A' ' 84' ' ' ASP . 97.8 mttt -70.93 -47.67 57.75 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.634 -176.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 85' ' ' GLU . 40.3 t -56.67 -52.89 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.603 -178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 28.5 mt -59.25 -41.66 89.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.888 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.9 54.84 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -176.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' HD2' ' O ' ' A' ' 88' ' ' LYS . 44.5 m-85 -75.3 -42.42 54.71 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 121.038 -0.265 . . . . 0.0 111.538 -178.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -60.26 -45.33 96.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 177.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.78 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.85 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.827 ' HG3' HG21 ' A' ' 105' ' ' ILE . 37.9 tt0 -59.0 -60.12 4.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.473 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 66' ' ' MET . 3.3 m-20 -62.03 -38.94 90.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.024 -178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.505 HH11 HD11 ' A' ' 62' ' ' ILE . 2.2 mmm180 -55.17 -51.59 66.01 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.088 175.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.813 ' HB3' ' HA ' ' A' ' 105' ' ' ILE . . . -72.31 -46.89 53.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.397 -177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.449 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.5 ttp-105 -54.16 -34.23 59.94 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 123.596 0.56 . . . . 0.0 111.177 -176.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -79.11 -31.67 44.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.148 178.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.8 m -100.58 -75.66 0.58 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -173.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 0.5 OUTLIER -84.72 -36.22 21.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.222 -176.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.577 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 63.4 mttp 101.9 -59.1 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 126.227 1.811 . . . . 0.0 111.867 -173.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 27.2 Cg_exo -64.71 117.4 4.47 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.624 1.55 . . . . 0.0 111.674 171.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.827 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.5 pp -65.92 -38.92 83.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.977 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -59.02 -26.96 65.01 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.413 ' OD2' ' HG2' ' A' ' 102' ' ' LYS . 35.2 t70 -63.25 -35.83 81.63 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.0 0.187 . . . . 0.0 111.198 -177.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.498 ' O ' HG13 ' A' ' 112' ' ' ILE . 15.6 mm-40 -70.74 -40.79 72.51 Favored 'General case' 0 CA--C 1.519 -0.242 0 C-N-CA 121.018 -0.273 . . . . 0.0 110.922 178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 30.2 tp -63.42 -39.91 95.76 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -58.01 -49.49 76.68 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.244 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.83 -44.54 86.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.244 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 95.1 mt -58.87 -54.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.065 0.46 . . . . 0.0 110.573 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -42.36 97.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.963 -177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -64.83 -44.81 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.566 178.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 119' ' ' LEU . 13.3 mptt -61.99 -44.07 97.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.583 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 112' ' ' ILE . 84.7 mt -64.61 -41.93 95.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.083 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.14 -38.79 84.16 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.228 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 120' ' ' GLU . 12.3 ptmm? -88.31 -12.4 43.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.16 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 115' ' ' LYS . 17.4 tp -69.1 32.05 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.274 0.63 . . . . 0.0 112.325 -175.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 118' ' ' LYS . 2.6 mp0 . . . . . 0 N--CA 1.463 0.221 0 C-N-CA 123.327 0.651 . . . . 0.0 110.859 -177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 52.6 t30 . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -99.59 -179.32 4.16 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.518 172.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.81 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 8.5 t70 -142.89 166.13 25.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.795 -173.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -43.85 -48.24 8.3 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.028 0.531 . . . . 0.0 111.733 179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -40.25 16.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.057 0.456 . . . . 0.0 110.701 178.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.81 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -55.91 -39.2 71.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.208 -175.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' ASP . 97.2 t -54.72 -53.5 31.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-O 121.068 0.461 . . . . 0.0 110.819 177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 tptm -64.42 -37.16 86.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.96 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -58.05 -50.28 73.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.868 -1.06 . . . . 0.0 111.096 178.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 69.2 mtt180 -59.58 -45.33 92.18 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.226 -177.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -57.02 -40.79 77.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.57 -176.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -85.43 -43.96 13.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.439 -177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.63 -55.56 21.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.415 -173.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -59.17 -32.64 70.08 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.339 0.399 . . . . 0.0 111.988 -174.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.5 m -60.57 -39.19 87.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.31 0.576 . . . . 0.0 110.237 177.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -79.45 0.41 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.371 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -112.5 148.23 34.88 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.447 0.536 . . . . 0.0 112.447 -170.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 105.06 -37.08 3.99 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.918 -0.658 . . . . 0.0 112.59 170.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' O ' ' HB ' ' A' ' 40' ' ' THR . . . -87.1 15.13 6.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.743 0.306 . . . . 0.0 111.784 -174.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.27 -52.09 9.17 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.939 0.399 . . . . 0.0 110.286 175.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -78.38 -36.1 46.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.391 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -113.19 82.02 1.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.512 ' O ' ' HE3' ' A' ' 80' ' ' LYS . 8.0 t -102.42 -23.47 13.93 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.88 -174.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.03 101.2 6.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.918 0.389 . . . . 0.0 111.943 -174.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 43.9 ttm -98.63 88.52 4.1 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 171.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -61.71 149.0 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.382 -175.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.02 -40.84 94.0 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.672 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 48' ' ' ASP . 32.1 ttpt -74.98 -20.18 59.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.902 0.382 . . . . 0.0 110.407 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -71.79 -46.88 56.85 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 176.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' HB2' ' A' ' 51' ' ' LEU . 86.3 t80 -63.74 -44.48 93.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.046 174.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 10.9 t70 -55.05 -41.79 71.88 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.521 177.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.814 ' HA ' ' HE2' ' A' ' 52' ' ' LYS . 53.6 tttm -79.12 -48.07 14.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.396 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.487 ' HZ2' ' CE3' ' A' ' 19' ' ' TRP . 20.3 t-105 -54.89 -34.06 62.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.358 176.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.541 ' HB3' ' CB ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -81.28 -36.93 29.25 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.992 -177.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.814 ' HE2' ' HA ' ' A' ' 49' ' ' LYS . 46.8 pttt -81.62 -33.22 31.57 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.353 -177.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.09 -42.43 94.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 174.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.35 78.01 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.683 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.6 24.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.459 174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.15 -22.37 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.137 0.494 . . . . 0.0 110.214 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.541 ' CB ' ' HB3' ' A' ' 51' ' ' LEU . 5.8 tp -119.45 163.49 17.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.3 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.836 ' H ' HG13 ' A' ' 62' ' ' ILE . 8.9 t70 51.95 76.11 0.19 Allowed 'General case' 0 N--CA 1.464 0.241 0 O-C-N 124.152 0.907 . . . . 0.0 111.227 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -164.65 70.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.39 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 tttm 74.7 -59.73 0.54 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.86 0.864 . . . . 0.0 111.841 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.07 6.07 12.5 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.261 -174.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.836 HG13 ' H ' ' A' ' 58' ' ' ASP . 41.6 mm -95.35 101.17 12.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.567 0.698 . . . . 0.0 110.028 178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.7 p -104.22 -152.51 0.46 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.793 -175.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -107.12 -28.82 4.8 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.446 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 69' ' ' ILE . 5.8 t -77.29 -47.36 20.26 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.681 -0.305 . . . . 0.0 110.961 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 78.2 mtp -61.33 -46.36 90.57 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.16 0.505 . . . . 0.0 110.668 -178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.444 HG21 HG23 ' A' ' 62' ' ' ILE . 81.2 p -75.37 -39.3 59.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.846 -178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.62 -43.95 94.12 Favored Glycine 0 C--N 1.333 0.374 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.591 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.538 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 85.1 mt -58.55 -48.33 85.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.531 0.205 . . . . 0.0 110.575 178.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.439 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -58.33 -51.15 71.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.088 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' O ' HG22 ' A' ' 74' ' ' VAL . 32.3 m-85 -60.08 -43.03 95.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.13 178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.715 ' HA ' ' HA2' ' A' ' 76' ' ' GLY . 14.6 t -59.0 -37.87 77.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 69' ' ' ILE . 74.9 mmtt -69.88 -36.13 75.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.697 -177.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.965 HG11 ' HB ' ' A' ' 89' ' ' VAL . 5.0 m -76.1 -27.54 18.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.998 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.843 HG22 HG23 ' A' ' 74' ' ' VAL . 5.9 t -178.18 -46.45 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.839 0.352 . . . . 0.0 111.342 177.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' A' ' 72' ' ' SER . . . 138.13 -79.28 0.3 Allowed Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -174.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -74.21 137.28 23.41 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.927 2.418 . . . . 0.0 111.319 173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -72.85 -12.49 61.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.68 -176.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -41.87 -60.84 1.26 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.371 0.668 . . . . 0.0 112.397 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.622 ' HG2' ' N ' ' A' ' 81' ' ' ALA . 54.1 tttt 175.17 165.53 0.29 Allowed 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -177.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.622 ' N ' ' HG2' ' A' ' 80' ' ' LYS . . . -145.82 -64.02 0.32 Allowed 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.593 ' H ' ' CD ' ' A' ' 85' ' ' GLU . 13.4 p -153.37 -150.64 0.34 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.627 -166.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -93.6 -31.54 14.46 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 121.518 0.675 . . . . 0.0 110.076 161.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -79.92 -27.8 39.86 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.858 ' HB2' ' HB ' ' A' ' 74' ' ' VAL . 8.0 pm0 -55.47 -40.78 72.06 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.991 0.359 . . . . 0.0 110.325 -174.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.712 ' HA ' HG12 ' A' ' 89' ' ' VAL . 3.3 m -67.6 -39.19 84.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.11 -44.57 83.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.555 0.693 . . . . 0.0 109.493 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HB2' HG12 ' A' ' 74' ' ' VAL . 74.9 mmtt -66.92 -56.58 9.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.355 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.965 ' HB ' HG11 ' A' ' 74' ' ' VAL . 13.8 p -63.02 -39.0 83.53 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.18 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.454 -173.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 86' ' ' THR . 0.5 OUTLIER -61.69 -39.65 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.111 -0.699 . . . . 0.0 109.111 178.7 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.52 -42.61 82.49 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.877 175.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -66.39 -38.74 88.2 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 89' ' ' VAL . 80.2 t -57.58 -44.08 84.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.92 0.39 . . . . 0.0 110.168 175.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.86 -45.81 76.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 105' ' ' ILE . 7.7 tp10 -52.11 -40.76 61.77 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.297 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.552 ' OD2' ' HG3' ' A' ' 97' ' ' ARG . 9.4 t70 -46.14 -70.59 0.09 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.225 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.552 ' HG3' ' OD2' ' A' ' 96' ' ' ASP . 24.3 mtm-85 -76.26 -24.33 54.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.713 -175.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.67 ' HA ' ' HG3' ' A' ' 108' ' ' GLU . . . -64.77 -51.14 63.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.94 0.4 . . . . 0.0 110.401 175.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 39.7 ttt-85 -73.47 -40.43 64.16 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.223 -177.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -64.02 -55.4 22.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.684 -178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 30.5 m -72.79 -58.21 3.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.533 -175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -101.72 -77.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.658 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 0.9 OUTLIER 160.53 -52.3 0.0 OUTLIER Pre-proline 0 N--CA 1.471 0.61 0 C-N-CA 124.769 1.228 . . . . 0.0 110.859 176.38 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -73.88 116.87 4.81 Favored 'Trans proline' 0 C--N 1.358 1.047 0 C-N-CA 122.351 2.034 . . . . 0.0 112.786 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.581 ' HA ' ' CB ' ' A' ' 98' ' ' ALA . 5.4 tt -59.28 -40.93 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.499 178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.79 -44.23 77.57 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.907 -175.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -55.06 -54.41 43.41 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.84 -177.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.67 ' HG3' ' HA ' ' A' ' 98' ' ' ALA . 13.7 mm-40 -70.43 -38.43 74.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.836 -178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.87 -40.86 97.53 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 120.458 -0.497 . . . . 0.0 110.169 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -58.57 -41.74 86.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.252 176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.03 -44.98 78.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.782 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 108' ' ' GLU . 98.6 mt -58.3 -49.62 81.29 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.201 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.922 177.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 20.4 m -61.81 -42.29 98.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.623 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.66 -47.78 74.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.957 0.408 . . . . 0.0 110.403 178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.494 ' HD2' HD12 ' A' ' 119' ' ' LEU . 17.7 tppt? -56.29 -55.96 26.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.362 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.69 HD13 ' HZ2' ' A' ' 19' ' ' TRP . 97.1 mt -66.24 -32.12 73.35 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.785 -175.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.58 89.72 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.23 0.538 . . . . 0.0 110.464 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.05 -17.76 28.68 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.316 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.494 HD12 ' HD2' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -98.52 14.47 28.18 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -178.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.425 0.631 . . . . 0.0 110.261 -177.397 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 120.972 0.415 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.69 ' HB2' HG22 ' A' ' 24' ' ' VAL . 7.2 m0 -106.11 165.8 10.97 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.661 ' O ' HG23 ' A' ' 24' ' ' VAL . 3.3 t70 -91.66 155.4 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -53.54 11.86 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.321 0.582 . . . . 0.0 111.522 -177.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' A' ' 26' ' ' LYS . . . -78.78 -39.97 34.45 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.261 -0.882 . . . . 0.0 110.053 -179.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.63 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 12.6 t70 -53.32 -42.36 66.61 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.867 178.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG22 ' HB2' ' A' ' 19' ' ' TRP . 87.9 t -54.17 -51.27 48.85 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.378 0.608 . . . . 0.0 110.312 175.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.39 -29.09 67.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.179 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 22' ' ' ALA . 98.4 mttt -69.64 -44.18 71.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.353 175.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.578 ' HG3' ' O ' ' A' ' 23' ' ' ASP . 46.4 mtt180 -59.73 -40.67 88.83 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.382 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -52.73 -47.48 67.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.522 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.94 -44.26 66.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.27 69.52 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.688 -179.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -67.51 -19.51 65.32 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.734 0.302 . . . . 0.0 111.107 -178.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 93.9 m -70.81 -40.06 72.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.147 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -117.69 -77.86 0.58 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -113.25 115.02 27.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.373 -170.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.73 -24.19 2.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.163 -1.017 . . . . 0.0 112.961 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.95 56.82 2.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.252 0.549 . . . . 0.0 110.625 -177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.33 -47.85 3.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.19 -178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.9 t -65.05 -32.64 74.45 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.301 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -105.98 128.99 54.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.551 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.2 t -65.39 -32.58 74.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.473 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.621 ' HB3' ' HD3' ' A' ' 80' ' ' LYS . 1.7 tp10 -177.67 -165.08 0.1 Allowed 'General case' 0 C--O 1.236 0.37 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 177.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.9 tpt -84.54 108.71 17.45 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 119.942 -0.703 . . . . 0.0 110.183 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.1 p -68.97 120.97 15.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.338 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.21 -37.14 58.53 Favored Glycine 0 C--N 1.332 0.355 0 CA-C-N 115.761 -0.654 . . . . 0.0 113.417 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 49' ' ' LYS . 82.6 tttt -57.71 -59.09 5.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.014 0.435 . . . . 0.0 110.642 178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -60.87 -38.47 85.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.16 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.445 ' CE2' HG11 ' A' ' 89' ' ' VAL . 63.4 t80 -60.55 -47.86 84.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.92 -179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -58.27 -39.98 80.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.326 0.584 . . . . 0.0 111.082 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 16.6 mmmt -75.96 -44.69 38.7 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -174.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -54.01 -42.47 69.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.479 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 2.1 mm? -71.84 -44.62 63.56 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.729 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.6 ttmm -70.55 -43.73 68.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.61 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.86 -40.25 83.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.137 -175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.03 -29.0 70.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.054 0.454 . . . . 0.0 110.93 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.7 28.09 13.19 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.833 179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 42.2 t -103.35 -40.49 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.183 0.516 . . . . 0.0 110.13 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.742 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 6.8 tt -105.55 136.88 44.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.19 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.57 ' H ' HG13 ' A' ' 62' ' ' ILE . 47.6 t0 64.62 100.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.488 -175.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -153.38 -48.96 0.1 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.051 -0.977 . . . . 0.0 109.972 -175.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -171.04 -63.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.434 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.29 5.92 15.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.716 -176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.57 HG13 ' H ' ' A' ' 58' ' ' ASP . 47.6 mm -86.01 114.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.851 0.357 . . . . 0.0 110.373 -178.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.6 p -124.02 163.35 21.58 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.207 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.85 -18.94 72.97 Favored Glycine 0 N--CA 1.452 -0.281 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 174.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 35.4 m -70.88 -56.82 5.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.59 -0.305 . . . . 0.0 110.874 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -66.02 -46.77 76.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 111.005 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 82.3 p -68.21 -38.17 81.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.253 -175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -57.13 -45.83 92.16 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 112.419 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.4 mt -59.69 -44.88 94.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.781 0.324 . . . . 0.0 110.552 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.463 ' O ' HG23 ' A' ' 74' ' ' VAL . . . -58.57 -54.34 48.18 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.728 178.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -59.08 -42.81 91.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.464 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 49.7 m -56.77 -35.48 68.71 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -78.79 -35.96 43.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.671 0.272 . . . . 0.0 111.171 178.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG21 HG22 ' A' ' 89' ' ' VAL . 93.8 t -63.59 -67.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.795 174.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.823 HG22 HG12 ' A' ' 74' ' ' VAL . 3.2 t -175.67 99.37 0.07 Allowed 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.591 177.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -61.61 -53.17 45.87 Favored Glycine 0 CA--C 1.518 0.274 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.366 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -80.22 -171.53 1.27 Allowed 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.285 1.99 . . . . 0.0 112.449 174.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.723 ' O ' ' HG3' ' A' ' 80' ' ' LYS . 11.7 mptt -82.47 -10.53 58.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.55 -177.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.628 ' HD3' ' O ' ' A' ' 80' ' ' LYS . 14.3 tmtt? -45.42 -35.05 3.44 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 -179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.723 ' HG3' ' O ' ' A' ' 78' ' ' LYS . 56.4 mttp 72.55 174.54 0.29 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.222 0.609 . . . . 0.0 112.021 175.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 1.046 ' HB3' ' HB2' ' A' ' 85' ' ' GLU . . . -128.21 -81.99 0.59 Allowed 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.714 -0.394 . . . . 0.0 111.976 179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.747 ' O ' ' HB3' ' A' ' 85' ' ' GLU . 10.9 t 169.89 -154.46 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 -174.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.43 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 48.2 p90 -59.28 -32.95 70.5 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.953 -0.467 . . . . 0.0 110.488 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.727 ' H ' HG23 ' A' ' 82' ' ' THR . 28.2 t70 -61.84 -34.06 75.28 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.04 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 1.046 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 21.2 tt0 -51.98 -54.62 27.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.622 174.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.4 m -65.43 -49.24 69.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.807 -176.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.544 ' CG ' ' HA ' ' A' ' 84' ' ' ASP . 1.9 ptmt -62.38 -36.08 81.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.693 -0.23 . . . . 0.0 111.599 -178.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.417 ' HB3' HG22 ' A' ' 74' ' ' VAL . 30.4 mttp -59.12 -50.55 73.64 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.778 -0.192 . . . . 0.0 111.153 179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.87 HG22 HG21 ' A' ' 74' ' ' VAL . 4.7 t -58.67 -49.43 82.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.015 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 90' ' ' LEU . 4.2 mm? -62.36 -35.05 77.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.463 -178.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.57 -47.83 58.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.572 -0.286 . . . . 0.0 111.271 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -62.44 -45.37 93.36 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 89' ' ' VAL . 25.8 m -64.79 -45.09 96.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.734 0.302 . . . . 0.0 111.169 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.42 -40.36 96.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.688 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.521 ' HB2' HD12 ' A' ' 105' ' ' ILE . 34.7 tt0 -60.14 -55.42 34.1 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.055 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 100' ' ' GLN . 30.0 t70 -55.36 -49.18 72.94 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.771 0.319 . . . . 0.0 111.309 -176.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.501 ' HD2' ' HG3' ' A' ' 108' ' ' GLU . 0.5 OUTLIER -62.41 -47.76 82.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.759 -178.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 108' ' ' GLU . . . -74.8 -41.46 59.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -65.98 -49.34 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.227 0.454 . . . . 0.0 112.227 -175.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 96' ' ' ASP . 9.4 pt20 -73.82 -19.49 60.73 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.164 -174.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 20.1 t -92.68 -59.42 2.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.841 0.353 . . . . 0.0 110.161 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -100.73 -76.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 104' ' ' PRO . 33.6 mttt 167.1 -58.47 0.0 OUTLIER Pre-proline 0 N--CA 1.475 0.811 0 C-N-CA 124.209 1.004 . . . . 0.0 110.619 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.484 ' HD3' ' CB ' ' A' ' 103' ' ' LYS . 15.9 Cg_exo -70.83 152.32 63.67 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.511 2.141 . . . . 0.0 112.636 178.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 95' ' ' GLU . 5.1 tt -91.05 -38.95 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.466 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.83 -35.66 23.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.254 -172.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -52.08 -50.63 61.18 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.697 0.284 . . . . 0.0 111.623 -179.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.501 ' HG3' ' HD2' ' A' ' 97' ' ' ARG . 29.5 mm-40 -73.67 -35.84 65.27 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -175.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.2 tp -63.62 -45.45 90.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.202 -0.599 . . . . 0.0 109.752 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -61.69 -35.18 77.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.016 178.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.707 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -63.44 -47.49 81.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.592 175.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.4 mt -57.56 -49.29 80.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-O 121.365 0.602 . . . . 0.0 110.516 177.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 6.4 m -59.29 -41.82 89.83 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.087 -0.96 . . . . 0.0 110.297 178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -62.46 -41.43 98.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.278 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.707 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 60.9 mttm -53.0 -52.02 59.73 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.53 -178.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.763 HD23 HD12 ' A' ' 119' ' ' LEU . 91.9 mt -59.48 -40.39 86.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.527 -178.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.23 92.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.277 0.56 . . . . 0.0 110.199 177.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -75.97 -15.56 60.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.314 178.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.763 HD12 HD23 ' A' ' 116' ' ' LEU . 84.9 mt -79.78 31.68 0.25 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.653 0.263 . . . . 0.0 111.175 178.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 N--CA 1.464 0.228 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.701 178.278 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 CA--C 1.52 -0.211 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.657 ' CZ2' ' HG ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -66.51 142.21 57.61 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.568 0.699 . . . . 0.0 111.622 177.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.723 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 13.9 t70 -78.7 167.89 20.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.445 -177.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -50.58 -40.5 52.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.28 -41.08 18.73 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.394 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.723 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 18.0 t70 -64.84 -39.63 93.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.625 -175.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -53.79 -39.19 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.217 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -86.56 -49.12 7.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.828 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.558 ' N ' ' HE2' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -59.96 -38.97 84.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.715 -175.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -53.1 -38.49 62.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.98 0.419 . . . . 0.0 110.444 175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.1 m0 -76.27 -44.63 36.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 110.171 176.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.31 -46.08 88.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.056 -175.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.66 -56.38 22.72 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -173.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -60.27 -27.88 67.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.699 0.285 . . . . 0.0 111.115 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.4 m -74.22 -43.17 58.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.598 176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.6 tttm -63.4 -39.85 95.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.766 -177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -82.98 -46.93 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 0.0 110.906 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.29 41.76 2.92 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.78 108.89 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.537 -0.332 . . . . 0.0 110.45 -174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.34 -16.56 13.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.966 0.413 . . . . 0.0 111.435 -175.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.5 m -114.68 47.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.828 0.823 . . . . 0.0 109.77 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -144.89 131.87 20.3 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.373 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.0 m 65.35 39.02 5.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 110.748 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -69.55 107.42 3.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 173.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.9 tpp -85.28 149.92 25.14 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.321 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.8 p -87.05 154.83 20.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.643 0.259 . . . . 0.0 110.726 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.97 -36.15 60.15 Favored Glycine 0 C--O 1.226 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 113.597 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 34.6 ttpt -61.75 -49.46 76.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.131 0.491 . . . . 0.0 110.579 -179.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -72.13 -32.25 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.674 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.586 ' HE2' HG11 ' A' ' 89' ' ' VAL . 36.7 t80 -68.32 -46.47 70.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.514 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -60.65 -36.05 77.73 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.548 177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.789 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -71.06 -51.34 25.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.533 -176.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 55.1 t-105 -58.22 -38.3 76.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.692 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 57' ' ' LEU . 1.2 mm? -75.6 -35.85 60.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.728 -175.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.551 ' HA ' ' O ' ' A' ' 57' ' ' LEU . 19.0 ttmm -65.92 -35.92 81.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.933 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.46 -28.38 62.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 111.147 177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.27 -29.7 65.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.165 179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.64 6.42 65.83 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.974 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.417 ' HB ' HD12 ' A' ' 51' ' ' LEU . 22.5 t -91.0 -35.63 7.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.399 0.618 . . . . 0.0 109.839 178.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.935 ' HB3' ' HB3' ' A' ' 51' ' ' LEU . 9.2 tp -120.0 151.44 38.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.355 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.579 ' O ' ' HB2' ' A' ' 59' ' ' ASN . 23.8 t70 -121.13 -94.99 0.49 Allowed 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 175.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.579 ' HB2' ' O ' ' A' ' 58' ' ' ASP . 11.6 t-20 165.12 -45.73 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.812 0.695 . . . . 0.0 109.311 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.1 tmtm? -101.68 -49.05 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.796 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.46 87.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.231 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ASP . 47.7 mm -67.97 125.39 25.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.497 0.665 . . . . 0.0 110.33 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 67' ' ' THR . 1.6 m -63.58 138.75 58.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.774 -176.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -59.68 -37.94 93.06 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.397 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 69' ' ' ILE . 1.6 m -60.27 -51.76 68.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.305 0.574 . . . . 0.0 110.085 176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 24.7 ttt -58.75 -52.62 64.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.214 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 63' ' ' THR . 10.2 t -67.92 -36.64 80.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -177.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.28 -44.25 97.94 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.04 -0.6 . . . . 0.0 112.268 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 65' ' ' THR . 73.4 mt -64.69 -38.25 82.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.699 0.285 . . . . 0.0 110.242 178.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.448 ' O ' HG13 ' A' ' 74' ' ' VAL . . . -57.26 -52.82 63.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.487 176.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 74' ' ' VAL . 21.3 m-85 -57.93 -43.55 86.37 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.962 0.411 . . . . 0.0 111.199 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 m -64.15 -28.17 69.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.056 0.455 . . . . 0.0 111.094 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.688 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -84.75 -36.14 21.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.295 -177.086 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.941 ' HB ' ' HG2' ' A' ' 85' ' ' GLU . 34.4 m -66.76 -43.67 89.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.56 0.207 . . . . 0.0 111.56 -178.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.4 HG22 HG23 ' A' ' 74' ' ' VAL . 9.6 t 178.49 -22.15 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 111.689 0.255 . . . . 0.0 111.689 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 124.66 -84.21 0.36 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.629 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -83.59 134.05 6.36 Favored 'Trans proline' 0 N--CA 1.456 -0.732 0 C-N-CA 122.57 2.18 . . . . 0.0 112.168 177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -67.08 -11.89 58.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.329 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -54.26 -35.53 62.62 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.618 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt -118.41 99.62 6.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.246 0.546 . . . . 0.0 111.258 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.501 ' HA ' ' CG ' ' A' ' 85' ' ' GLU . . . -112.8 86.18 2.32 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.038 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.0 t -117.97 -157.98 0.69 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.723 -176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -39.15 -71.51 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -171.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -69.14 -30.86 69.19 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.856 0.36 . . . . 0.0 111.17 -176.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.941 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 15.9 tm-20 -61.24 -59.31 5.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.631 ' HA ' HG23 ' A' ' 89' ' ' VAL . 30.0 m -63.23 -31.73 72.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.422 -174.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -64.33 -34.13 77.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.512 175.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 88' ' ' LYS . 55.6 mmtt -72.86 -41.58 64.6 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.225 177.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.851 HG22 HG11 ' A' ' 74' ' ' VAL . 1.3 t -59.67 -58.03 8.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.401 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.56 -39.32 83.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.094 -176.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.08 60.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.645 -178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.99 -46.45 74.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.404 0.145 . . . . 0.0 111.382 -177.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 89' ' ' VAL . 58.0 t -61.24 -44.73 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.62 91.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.599 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 105' ' ' ILE . 32.0 tt0 -56.76 -54.12 49.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.259 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.684 ' HA ' ' HE ' ' A' ' 99' ' ' ARG . 19.7 t70 -64.57 -35.28 80.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.646 -174.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 34.4 ttp180 -74.31 -28.66 61.27 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.086 0.47 . . . . 0.0 110.034 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -83.74 -55.02 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -175.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.684 ' HE ' ' HA ' ' A' ' 96' ' ' ASP . 0.0 OUTLIER -57.87 -23.6 53.78 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -171.417 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.499 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 50.4 mt-30 -80.72 -52.21 7.8 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 177.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -101.6 -49.71 3.93 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 112.802 0.668 . . . . 0.0 112.802 -171.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.774 ' HG3' ' HD2' ' A' ' 104' ' ' PRO . 3.9 tppp? -92.76 -35.97 13.14 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -167.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.868 ' HB2' ' HD3' ' A' ' 104' ' ' PRO . 8.2 mmpt? 97.09 -70.23 0.0 OUTLIER Pre-proline 0 N--CA 1.483 1.205 0 C-N-CA 125.544 1.538 . . . . 0.0 112.022 -174.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.868 ' HD3' ' HB2' ' A' ' 103' ' ' LYS . 5.7 Cg_exo -78.15 122.84 5.88 Favored 'Trans proline' 0 C--N 1.361 1.217 0 C-N-CA 121.965 1.776 . . . . 0.0 112.201 178.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.651 HG22 ' HA ' ' A' ' 95' ' ' GLU . 2.4 pp -62.97 -38.35 81.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.027 179.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.17 -38.31 76.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -59.64 -44.51 93.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.414 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -71.44 -36.05 71.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.266 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.45 -39.73 94.38 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.37 -43.11 88.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.248 177.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.858 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.505 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 85.4 mt -63.24 -49.1 84.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.067 0.461 . . . . 0.0 110.443 176.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 7.0 m -58.87 -41.14 86.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.374 179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 118' ' ' LYS . 33.5 tt0 -63.25 -40.64 98.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.724 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.505 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 57.8 tptt -50.06 -47.84 53.29 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.412 179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.657 ' HG ' ' CZ2' ' A' ' 19' ' ' TRP . 3.0 mm? -63.21 -39.93 96.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.782 0.325 . . . . 0.0 110.801 178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.46 -38.16 83.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.342 0.591 . . . . 0.0 110.341 177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 114' ' ' GLU . 29.3 mtpp -69.27 -15.56 63.38 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.944 177.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 115' ' ' LYS . 85.5 mt -90.02 27.2 1.65 Allowed 'General case' 0 CA--C 1.531 0.219 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 . . . . . 0 N--CA 1.469 0.497 0 CA-C-N 115.81 -0.632 . . . . 0.0 112.454 177.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 57.7 t30 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.481 ' CZ2' HD13 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -52.34 140.08 22.82 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 123.694 0.621 . . . . 0.0 111.699 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 23' ' ' ASP . 18.0 t70 -85.35 157.7 20.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.964 -168.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -52.3 -44.71 65.2 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.844 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.23 -39.43 17.79 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.479 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.637 ' HB3' ' HB3' ' A' ' 20' ' ' ASP . 1.9 t70 -50.54 -50.1 54.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.272 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.8 m -58.28 -32.81 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.671 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.67 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -73.95 -38.65 64.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.896 0.379 . . . . 0.0 110.819 179.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -86.74 -43.16 12.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -172.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.44 HH22 ' HE3' ' A' ' 19' ' ' TRP . 43.8 ttp85 -79.2 -46.1 18.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.036 -174.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.654 ' HA ' ' HD2' ' A' ' 31' ' ' PHE . 2.1 t90 -65.67 -31.53 72.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.277 0.56 . . . . 0.0 110.11 -176.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -69.39 -44.07 72.22 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.803 175.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.18 -43.26 70.54 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 115.25 -0.886 . . . . 0.0 111.229 179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.654 ' HD2' ' HA ' ' A' ' 28' ' ' TRP . 39.2 m-85 -52.79 -35.29 56.51 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.081 0.467 . . . . 0.0 111.391 178.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.604 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 23.5 m -84.15 -41.98 16.49 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.365 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -84.68 -56.45 3.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.223 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -109.39 -78.25 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.95 0.405 . . . . 0.0 110.626 -176.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.95 -111.64 0.42 Allowed Glycine 0 N--CA 1.439 -1.126 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 177.09 170.65 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.916 0.486 . . . . 0.0 110.193 -178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -129.52 -42.89 1.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 m -79.23 -6.77 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.546 0.688 . . . . 0.0 110.289 177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.77 136.01 38.53 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.159 178.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 50.0 m -155.56 -37.35 0.09 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.828 0.347 . . . . 0.0 111.211 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -114.62 119.86 38.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.85 0.357 . . . . 0.0 111.405 -173.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 20.8 mmt -103.84 147.81 26.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.719 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.8 p -129.19 143.79 50.98 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.46 178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.3 -40.79 94.5 Favored Glycine 0 C--O 1.225 -0.465 0 C-N-CA 121.123 -0.56 . . . . 0.0 112.58 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -59.32 -51.35 70.33 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.883 0.373 . . . . 0.0 110.906 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -65.39 -46.99 77.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.93 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.83 -40.17 95.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.912 -178.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.668 ' O ' ' HB2' ' A' ' 52' ' ' LYS . 14.2 t70 -61.23 -29.73 70.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.61 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -84.79 -48.04 9.79 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 36.5 t-105 -51.01 -44.88 61.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.093 175.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.525 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 10.1 tp -86.13 -34.05 20.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.352 -172.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 48' ' ' ASP . 27.9 tptt -63.18 -46.36 87.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.727 0.299 . . . . 0.0 110.223 178.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -70.26 -36.39 74.4 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.414 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.35 68.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.038 0.446 . . . . 0.0 110.567 177.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.94 43.34 6.4 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.138 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.7 t -126.55 -4.38 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.418 0.628 . . . . 0.0 110.009 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.525 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 59.2 tp -92.37 -37.09 12.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -174.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -123.1 -75.89 0.6 Allowed 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.529 -172.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 56.98 18.28 3.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.245 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 73.45 -46.36 0.63 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.747 0.819 . . . . 0.0 111.766 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.51 -28.16 64.74 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.86 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mt -85.39 134.72 26.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.659 ' O ' HG22 ' A' ' 67' ' ' THR . 76.3 p -98.6 138.94 35.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.882 -172.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.36 -21.35 56.92 Favored Glycine 0 N--CA 1.453 -0.223 0 O-C-N 123.946 0.778 . . . . 0.0 112.66 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.8 t -75.04 -40.99 60.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.724 -0.28 . . . . 0.0 110.793 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 tpt -68.8 -53.13 23.42 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.907 0.384 . . . . 0.0 110.645 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -63.62 -37.63 88.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 179.098 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.09 -45.69 95.56 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.894 -0.67 . . . . 0.0 112.543 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.8 -42.03 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.754 0.311 . . . . 0.0 110.557 178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.56 -46.28 89.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.7 178.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.59 ' HA ' HG22 ' A' ' 74' ' ' VAL . 82.7 t80 -61.04 -42.83 99.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.749 177.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 42.5 m -59.74 -27.27 66.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.305 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -84.36 -42.13 16.05 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.753 HG11 ' HB ' ' A' ' 89' ' ' VAL . 27.4 m -65.44 -30.82 51.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-O 120.789 0.328 . . . . 0.0 111.753 -178.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.817 HG22 ' HB2' ' A' ' 81' ' ' ALA . 13.2 p -93.54 -74.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.677 177.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.35 -108.87 3.25 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.907 176.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HD2' ' O ' ' A' ' 75' ' ' THR . 51.0 Cg_endo -68.42 -175.25 0.82 Allowed 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 123.073 2.516 . . . . 0.0 113.938 -176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -60.77 -34.47 74.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.851 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -43.16 -72.27 0.06 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.902 0.751 . . . . 0.0 112.778 -169.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HB3' ' H ' ' A' ' 81' ' ' ALA . 16.2 mttt 171.49 -108.79 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 O-C-N 123.648 0.593 . . . . 0.0 110.536 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.817 ' HB2' HG22 ' A' ' 75' ' ' THR . . . -165.29 110.81 0.91 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 121.888 0.851 . . . . 0.0 109.059 -178.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.614 HG22 ' H ' ' A' ' 83' ' ' PHE . 1.2 m -76.83 177.72 7.42 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-N 113.777 -1.556 . . . . 0.0 111.126 -176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.614 ' H ' HG22 ' A' ' 82' ' ' THR . 33.9 m-85 -54.31 -32.11 55.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.903 0.481 . . . . 0.0 111.742 -178.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.802 ' HA ' ' HE3' ' A' ' 87' ' ' LYS . 27.9 t70 -59.28 -29.38 67.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.801 178.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.726 ' HG2' ' HB ' ' A' ' 74' ' ' VAL . 11.1 tm-20 -48.64 -63.67 1.02 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 123.06 0.544 . . . . 0.0 111.315 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.3 m -59.33 -41.91 90.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.268 -171.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 84' ' ' ASP . 15.0 pttp -69.71 -35.19 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.075 -0.65 . . . . 0.0 111.363 -177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' O ' ' HD1' ' A' ' 92' ' ' PHE . 25.4 mttp -69.12 -61.09 1.93 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.776 0.322 . . . . 0.0 111.268 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.753 ' HB ' HG11 ' A' ' 74' ' ' VAL . 12.2 p -62.33 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.587 -171.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 25.7 tp -70.13 -35.69 74.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.704 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -43.53 62.77 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.105 -0.238 . . . . 0.0 110.877 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 88' ' ' LYS . 13.5 m-85 -60.16 -46.64 89.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 89' ' ' VAL . 22.5 m -64.24 -44.9 97.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.906 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -60.79 -50.06 74.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.225 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 105' ' ' ILE . 41.7 tt0 -63.35 -44.53 94.57 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.543 -174.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -63.68 -35.99 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.024 0.44 . . . . 0.0 110.459 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -76.0 -46.46 29.35 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.966 176.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.13 35.33 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.274 -177.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.697 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -67.24 -25.04 65.89 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -172.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.514 ' HG3' ' HD3' ' A' ' 99' ' ' ARG . 44.9 mt-30 -79.06 -27.42 43.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.804 0.335 . . . . 0.0 111.276 177.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -97.64 -66.99 0.87 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.475 -177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 103' ' ' LYS . 27.4 mtpt -101.11 -77.06 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.211 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.697 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 83.4 tttt 169.1 -60.15 0.0 OUTLIER Pre-proline 0 CA--C 1.538 0.514 0 O-C-N 123.673 0.608 . . . . 0.0 111.652 174.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.639 ' HD3' ' HB3' ' A' ' 103' ' ' LYS . 5.3 Cg_exo -79.57 130.78 9.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.517 2.145 . . . . 0.0 113.766 -171.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 95' ' ' GLU . 0.4 OUTLIER -73.34 -42.53 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.747 176.238 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -61.52 -41.73 97.75 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.282 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -61.2 -40.09 92.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.924 0.393 . . . . 0.0 110.794 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 112' ' ' ILE . 7.3 tp10 -67.4 -48.61 66.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.26 -178.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 35.6 tp -65.85 -37.87 87.33 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -58.88 -45.86 89.2 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.862 177.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' O ' ' HG3' ' A' ' 115' ' ' LYS . . . -59.49 -50.79 72.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.69 176.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 108' ' ' GLU . 80.8 mt -54.49 -49.45 65.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.989 0.424 . . . . 0.0 110.627 178.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 27.9 m -63.02 -44.43 95.97 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.546 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -72.7 -38.79 67.4 Favored 'General case' 0 C--O 1.223 -0.318 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.17 -178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 111' ' ' ALA . 53.9 mtpt -56.83 -38.78 73.11 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 120.587 0.232 . . . . 0.0 111.171 177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD13 ' CZ2' ' A' ' 19' ' ' TRP . 56.0 mt -67.98 -42.16 81.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.974 0.416 . . . . 0.0 110.919 179.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.27 -38.61 90.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.786 0.803 . . . . 0.0 109.81 175.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 120' ' ' GLU . 29.0 ttpt -73.74 -15.34 61.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.438 -1.255 . . . . 0.0 110.617 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.7 tp -76.54 26.53 0.13 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 177.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 118' ' ' LYS . 46.5 mt-10 . . . . . 0 C--O 1.234 0.285 0 C-N-CA 123.869 0.868 . . . . 0.0 111.17 -177.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.643 ' HB3' ' HG3' ' A' ' 120' ' ' GLU . 8.4 p30 . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 107.624 -1.251 . . . . 0.0 107.624 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.555 ' HB3' HG22 ' A' ' 24' ' ' VAL . 76.0 m95 -57.02 92.32 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.234 -174.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.92 ' H ' ' HB3' ' A' ' 23' ' ' ASP . 11.4 t70 -106.38 165.66 11.1 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.195 -1.366 . . . . 0.0 109.441 -179.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -39.65 -47.8 2.03 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.269 0.557 . . . . 0.0 111.442 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.39 -40.75 16.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.348 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.92 ' HB3' ' H ' ' A' ' 20' ' ' ASP . 10.8 t70 -64.06 -42.88 96.85 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.727 -174.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' HB3' ' A' ' 19' ' ' TRP . 97.8 t -59.19 -44.62 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.218 0.532 . . . . 0.0 110.076 177.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -72.17 -31.98 66.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.838 -176.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' HG3' ' HD2' ' A' ' 27' ' ' ARG . 19.0 ptpt -68.39 -40.43 81.34 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' HD2' ' HG3' ' A' ' 26' ' ' LYS . 1.2 mpt_? -66.82 -44.94 79.81 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.943 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CZ2' HD12 ' A' ' 90' ' ' LEU . 35.7 m0 -58.25 -42.36 86.24 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.19 0.519 . . . . 0.0 110.521 175.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -58.52 -43.84 89.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.775 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HD2' ' A' ' 34' ' ' PHE . . . -51.21 -43.59 61.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.657 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -59.94 -61.5 2.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 111.511 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.5 t -70.35 -40.36 74.11 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -171.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 4.0 ttmp? -81.9 -46.21 14.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.714 0.264 . . . . 0.0 111.714 -174.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.725 ' HD2' ' HA ' ' A' ' 30' ' ' ALA . 89.3 m-85 -98.12 -57.58 2.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.275 0.56 . . . . 0.0 110.794 -176.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 36' ' ' ALA . . . 158.31 -48.63 0.43 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -177.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 35' ' ' GLY . . . 169.58 148.94 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 123.711 0.804 . . . . 0.0 109.024 176.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.75 -56.35 4.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -153.68 86.95 1.21 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.826 0.822 . . . . 0.0 109.776 172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.41 75.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.25 -179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.5 t -81.14 -21.3 39.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.123 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -142.32 145.94 34.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.553 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HB3' ' HA ' ' A' ' 80' ' ' LYS . 52.2 tpp -144.43 87.95 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.172 0.51 . . . . 0.0 109.755 175.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.78 HG22 ' HG2' ' A' ' 78' ' ' LYS . 1.2 p -87.26 159.85 18.65 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.059 -177.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.84 -47.49 78.62 Favored Glycine 0 CA--C 1.52 0.388 0 CA-C-N 115.808 -0.633 . . . . 0.0 114.348 -171.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.613 ' O ' ' HG3' ' A' ' 49' ' ' LYS . 36.4 ttpt -73.13 -35.41 66.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.217 0.509 . . . . 0.0 111.155 -175.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.59 -35.69 75.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.756 0.312 . . . . 0.0 110.665 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -69.9 -36.5 75.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 52' ' ' LYS . 9.9 t70 -59.77 -28.28 67.26 Favored 'General case' 0 C--O 1.225 -0.228 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.392 174.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 94.6 mttt -72.22 -46.45 56.03 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -59.89 -36.56 77.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.221 177.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.896 ' HB3' ' HB2' ' A' ' 57' ' ' LEU . 4.1 mm? -79.91 -54.5 5.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.732 -177.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.553 ' HD3' ' N ' ' A' ' 53' ' ' ASP . 7.4 tmtt? -71.27 -46.3 61.23 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.553 ' N ' ' HD3' ' A' ' 52' ' ' LYS . 0.7 OUTLIER -75.35 -22.03 57.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.948 0.404 . . . . 0.0 111.031 -171.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.681 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -75.01 -34.03 61.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 175.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.29 13.13 9.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.555 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 21.8 t -92.67 -49.99 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.152 0.501 . . . . 0.0 110.104 179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.896 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 19.6 tp -82.88 86.6 6.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.315 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.68 ' HB3' HG12 ' A' ' 62' ' ' ILE . 16.3 t70 -77.56 -35.35 53.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.848 -177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.483 ' H ' ' HB ' ' A' ' 62' ' ' ILE . 60.9 t30 69.69 -46.62 0.59 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.989 -177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.99 -59.96 3.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.027 0.441 . . . . 0.0 110.238 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -86.53 -4.16 59.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.301 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.68 HG12 ' HB3' ' A' ' 58' ' ' ASP . 32.9 mm -100.99 131.6 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.59 -178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.67 110.05 15.79 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.821 -176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -67.74 -16.18 67.62 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.485 -177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.8 p -71.7 -49.01 43.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.873 0.368 . . . . 0.0 110.902 177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.429 ' HG2' ' HB2' ' A' ' 96' ' ' ASP . 14.8 tpt -75.15 -47.83 26.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.238 0.542 . . . . 0.0 110.356 -178.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.503 ' O ' ' HD1' ' A' ' 71' ' ' PHE . 75.5 p -70.46 -37.89 74.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.469 -176.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.42 -41.72 95.39 Favored Glycine 0 C--N 1.329 0.188 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.426 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.6 mt -68.22 -39.95 81.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.8 -53.93 52.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.667 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' HD1' ' O ' ' A' ' 67' ' ' THR . 35.3 m-85 -55.84 -44.9 78.41 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.446 179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 23.6 m -69.49 -36.32 76.38 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.802 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -72.39 -30.69 64.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.324 0.583 . . . . 0.0 110.272 179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.127 HG21 ' HB ' ' A' ' 89' ' ' VAL . 31.7 t -71.62 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.074 175.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.564 ' O ' ' HD2' ' A' ' 77' ' ' PRO . 20.6 p -76.36 -77.32 0.14 Allowed 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.401 -175.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 85.12 -98.54 2.25 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.564 ' HD2' ' O ' ' A' ' 75' ' ' THR . 23.4 Cg_endo -62.4 159.78 34.35 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.483 2.122 . . . . 0.0 111.569 169.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.78 ' HG2' HG22 ' A' ' 43' ' ' THR . 25.8 ttpt -78.05 -13.96 59.68 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.186 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HD3' ' HB2' ' A' ' 77' ' ' PRO . 0.8 OUTLIER -53.75 -60.85 2.79 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.139 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.491 ' HG2' ' N ' ' A' ' 81' ' ' ALA . 34.3 ttmt -167.62 167.49 13.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 0.0 110.751 -171.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.491 ' N ' ' HG2' ' A' ' 80' ' ' LYS . . . -109.87 92.02 3.88 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 170.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.508 HG23 ' OE1' ' A' ' 85' ' ' GLU . 3.9 t -60.39 -177.52 0.07 Allowed 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.378 -1.283 . . . . 0.0 112.89 -173.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -48.13 -71.59 0.07 Allowed 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -162.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.508 ' O ' ' HG3' ' A' ' 88' ' ' LYS . 16.3 t70 -72.04 -30.43 65.16 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 121.004 0.43 . . . . 0.0 110.383 -174.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.695 ' HB3' HG13 ' A' ' 74' ' ' VAL . 4.7 mp0 -48.46 -54.61 13.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.298 174.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 81.8 m -58.69 -39.15 79.92 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.169 0.509 . . . . 0.0 111.005 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -63.86 -40.77 97.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.677 176.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 69.0 mttm -60.23 -55.45 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.23 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 1.127 ' HB ' HG21 ' A' ' 74' ' ' VAL . 7.7 p -59.88 -45.57 94.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.809 -172.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.447 HD12 ' CZ2' ' A' ' 28' ' ' TRP . 20.8 mt -64.85 -32.44 74.14 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.768 -178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.75 -46.24 54.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -64.47 -44.06 92.24 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.621 0.248 . . . . 0.0 111.631 -178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 89' ' ' VAL . 94.6 t -62.16 -45.45 98.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.37 179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.97 -42.31 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.718 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.664 ' HG3' HG21 ' A' ' 105' ' ' ILE . 42.8 tt0 -55.75 -49.0 74.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.895 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.429 ' HB2' ' HG2' ' A' ' 66' ' ' MET . 36.0 t70 -61.44 -51.32 69.21 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.781 0.324 . . . . 0.0 110.62 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 97' ' ' ARG . 19.7 ttt180 -58.92 -42.94 90.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.719 178.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.616 ' CB ' ' HA ' ' A' ' 105' ' ' ILE . . . -62.46 -53.65 51.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.891 -178.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.62 ' HA ' ' HA ' ' A' ' 103' ' ' LYS . 62.9 mtm180 -63.69 -26.47 68.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.193 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -78.43 -45.24 22.75 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.3 t -74.2 -75.42 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.827 -178.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 103' ' ' LYS . 40.7 ttmt -101.81 -76.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.62 ' HA ' ' HA ' ' A' ' 99' ' ' ARG . 63.8 pttt 170.12 -40.27 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 124.191 0.932 . . . . 0.0 111.828 176.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.483 ' HD3' ' CG ' ' A' ' 103' ' ' LYS . 1.2 Cg_endo -85.1 128.57 3.69 Favored 'Trans proline' 0 C--N 1.365 1.398 0 C-N-CA 122.41 2.073 . . . . 0.0 111.842 -178.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.664 HG21 ' HG3' ' A' ' 95' ' ' GLU . 1.7 pp -68.28 -38.35 79.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.38 -176.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -47.93 83.73 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.35 -45.13 76.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.108 0.48 . . . . 0.0 111.111 -176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -67.36 -43.89 80.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.652 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.3 tp -65.36 -34.13 77.59 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.04 0.448 . . . . 0.0 110.331 -179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.434 ' O ' ' HG3' ' A' ' 114' ' ' GLU . 9.4 t70 -60.36 -46.04 91.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.739 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.38 -36.75 83.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.1 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.427 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 92.6 mt -66.78 -42.68 89.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.632 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.7 m -62.82 -45.72 91.3 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.268 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 110' ' ' ASP . 51.2 mt-10 -61.49 -40.22 93.77 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.553 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 112' ' ' ILE . 58.5 tptt -49.37 -53.1 24.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.366 -178.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.681 HD21 ' HB1' ' A' ' 54' ' ' ALA . 62.4 mt -73.35 -32.45 64.53 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.79 -40.62 97.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.234 0.54 . . . . 0.0 110.426 177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -82.08 -17.78 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.426 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 116' ' ' LEU . 12.2 mt -94.29 30.22 2.0 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.38 174.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.643 ' HG3' ' HB3' ' A' ' 18' ' ' ASN . 37.9 tt0 . . . . . 0 N--CA 1.47 0.539 0 O-C-N 124.543 1.152 . . . . 0.0 112.384 -173.639 . . . . . . . . 1 1 . 1 stop_ save_